Allyl chloride
PubChem CID: 7850
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| Compound Synonyms | ALLYL CHLORIDE, 107-05-1, 3-Chloro-1-propene, 3-chloroprop-1-ene, 1-Propene, 3-chloro-, 3-Chloropropene, 3-Chloropropylene, Chlorallylene, Allylchlorid, 2-Propenyl chloride, 1-Chloro-2-propene, allylchloride, Chloroallylene, 3-Chloropropene-1, 3-Chlorpropen, Propene, 3-chloro-, 3-Chloro-1-propylene, Chloro-2-propene, alpha-Chloropropylene, NCI-C04615, p-Aminopropiofenon, CCRIS 19, Allile (cloruro di), NSC 20939, Allyle (chlorure d'), HSDB 178, UNII-V2RFT0R50S, EINECS 203-457-6, V2RFT0R50S, Allile(cloruro di), 1-Chloropropene-2, BRN 0635704, Allyle(chlorure d'), DTXSID4039231, NSC-20939, DTXCID4045, CHEBI:82379, EC 203-457-6, 4-01-00-00738 (Beilstein Handbook Reference), ALLYL CHLORIDE (IARC), ALLYL CHLORIDE [IARC], Allylchlorid [German], 3-Chlorpropen [German], 3-Chloroprene, p-Aminopropiofenon [Czech], 1-chloro propene-2, Allile (cloruro di) [Italian], Allyle (chlorure d') [French], UN1100, allyl-chloride, 3-Chloro propene, MFCD00000984, .alpha.-Chloropropylene, CH2=CHCH2Cl, ALLYL CHLORIDE [MI], WLN: G2U1, ALLYL CHLORIDE [HSDB], CHEMBL451126, 3-Chloro-1-propene, Chlorallylene, NSC20939, STR01272, Tox21_200824, Allyl chloride, reagent grade, 98%, STL283938, AKOS000119803, Allyl chloride, ReagentPlus(R), 99%, FA34668, UN 1100, 3-Chloro-1-propene, analytical standard, NCGC00091097-01, NCGC00091097-02, NCGC00258378-01, CAS-107-05-1, DB-029431, NS00009093, EN300-19790, Allyl chloride [UN1100] [Flammable liquid], C19316, InChI=1/C3H5Cl/c1-2-3-4/h2H,1,3H, Q420473, F1908-0072, 203-457-6, 28412-31-9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | ClCC=C |
| Heavy Atom Count | 4.0 |
| Classyfire Class | Organochlorides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 17.2 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-chloroprop-1-ene |
| Class | Organochlorides |
| Veber Rule | True |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 1.5 |
| Superclass | Organohalogen compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H5Cl |
| Inchi Key | OSDWBNJEKMUWAV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | Allyl chloride, allyl chloride |
| Esol Class | Very soluble |
| Functional Groups | C=CC, CCl |
| Compound Name | Allyl chloride |
| Kingdom | Organic compounds |
| Exact Mass | 76.008 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 76.008 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 76.52 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2 |
| Smiles | C=CCCl |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Organochlorides |
- 1. Outgoing r'ship
FOUND_INto/from Allium Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.1111/1750-3841.12118