Chlorobenzene
PubChem CID: 7964
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| Compound Synonyms | CHLOROBENZENE, 108-90-7, Monochlorobenzene, Phenyl chloride, Benzene chloride, Chlorobenzol, Benzene, chloro-, Chlorbenzene, Monochlorbenzene, Chlorobenzen, Monochlorbenzol, Chlorbenzol, Tetrosin SP, Clorobenzene, Chloorbenzeen, chloro-benzene, Monoclorobenzene, Monochloorbenzeen, Chlorobenzene, mono-, Chlorobenzenu, PhCl, chloro benzene, Caswell No. 183A, I P Carrier T 40, Abluton T30, CP 27, NCI-C54886, NSC 8433, HSDB 55, IP Carrier T 40, CCRIS 1357, 4-chlorobenzene, mono-chlorobenzene, NSC-8433, EINECS 203-628-5, UN1134, EPA Pesticide Chemical Code 056504, UNII-K18102WN1G, DTXSID4020298, CHEBI:28097, AI3-07776, K18102WN1G, EINECS 270-127-6, CHLOROBENZENE [MI], MCB, CHLOROBENZENE [HSDB], DTXCID40298, CHLOROBENZENE [USP-RS], EC 203-628-5, Benzene-13C6, chloro- (9CI), MFCD00000530, UN 1134, CHLOROBENZENE (USP-RS), Chloorbenzeen [Dutch], Chlorobenzen [Polish], Chlorobenzenu [Czech], Chlorobenzene, analytical standard, Clorobenzene [Italian], Monochlorbenzol [German], Monochloorbenzeen [Dutch], Monoclorobenzene [Italian], C6H5Cl, RCRA waste no. U037, chlorobezene, chorobenzene, chlor-benzene, chloranylbenzene, p-chlorobenzene, 1-chlorobenzene, 3-chlorobenzene, benzene, chloro, p-chlorobenzene-, Chlorobenzol(DOT), Ph-Cl, Caswell No 183A, Chloorbenzeen(DUTCH), Chlorobenzen(POLISH), Clorobenzene(ITALIAN), Chlorobenzene ACS grade, Chlorobenzene(ITALIAN), Monochlorbenzol(GERMAN), Monochloorbenzeen(DUTCH), WLN: GR, CHLOROBENZENE, MONO, Monoclorobenzene(ITALIAN), bmse001030, SCHEMBL2044, Chlorobenzene (ACGIH:OSHA), BIDD:ER0289, CHEMBL16200, Chlorobenzene, LR, >=99%, Chlorobenzene (ACD/Name 4.0), Chlorobenzene, p.a., 99.5%, Chlorobenzene, AR, >=99.5%, NSC8433, Chlorobenzene, anhydrous, 99.8%, Chlorobenzene, for HPLC, 99.9%, JCA16410, Tox21_201223, MSK000092, STL282731, Chlorobenzene, ReagentPlus(R), 99%, AKOS000120122, USEPA/OPP Pesticide Code: 056504, Chlorobenzene 10 microg/mL in Isooctane, Chlorobenzene 100 microg/mL in Methanol, Chlorobenzene, ACS reagent, >=99.5%, NCGC00091678-01, NCGC00091678-02, NCGC00258775-01, AI-07776, CAS-108-90-7, PS-11980, 1ST000092, Chlorobenzene, SAJ first grade, >=99.0%, C1948, NS00010206, S0645, Chlorobenzene [UN1134] [Flammable liquid], Chlorobenzene, SAJ special grade, >=99.5%, EN300-18065, C06990, Chlorobenzene, anhydrous, ZerO2(TM), 99.8%, Chlorobenzene, UV HPLC spectroscopic, 99.5%, A801940, Q407768, F0001-0183, Chlorobenzene, puriss. p.a., ACS reagent, >=99.5% (GC), Chlorobenzene, Pharmaceutical Secondary Standard, Certified Reference Material, Chlorobenzene, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC), 203-628-5, 50717-45-8, 610-564-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | Clcccccc6 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Halobenzenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 46.1 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | chlorobenzene |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.9 |
| Superclass | Benzenoids |
| Subclass | Halobenzenes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H5Cl |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | MVPPADPHJFYWMZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Synonyms | Benzene chloride, Monochlorbenzol, Monochlorobenzene, PHCL, Phenyl chloride, 6-Chlorobenzene-1,2,4-triol, 6-Chlorohydroxyquinol, Abluton T30, Chloorbenzeen, Chlorbenzene, Chlorbenzol, Chloro-benzene, Chlorobenzen, Chlorobenzene (acd/name 4.0), Chlorobenzenu, Chlorobenzol, Chlorobenzol(dot), Clorobenzene, IP carrier T 40, MCB, mono-Chlorobenzene, Monochloorbenzeen, Monochlorbenzene, Monoclorobenzene, Tetrosin SP, chlorobenzene |
| Esol Class | Soluble |
| Functional Groups | cCl |
| Compound Name | Chlorobenzene |
| Kingdom | Organic compounds |
| Exact Mass | 112.008 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.008 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 112.55 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H |
| Smiles | C1=CC=C(C=C1)Cl |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Chlorobenzenes |
- 1. Outgoing r'ship
FOUND_INto/from Asystasia Gangetica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643975