3-Nitrophenol
PubChem CID: 11137
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| Compound Synonyms | 3-Nitrophenol, 554-84-7, M-NITROPHENOL, 3-Hydroxynitrobenzene, Phenol, 3-nitro-, m-Hydroxynitrobenzene, Phenol, m-nitro-, m-Nitrofenol, meta-Nitrophenol, 1-Hydroxy-3-nitrobenzene, m-Nitrofenol [Czech], 3-nitro-phenol, NSC 1551, Crump leather-lasting dressing, CCRIS 2315, HSDB 1337, EINECS 209-073-5, T6P4T52V9W, DTXSID2025765, CHEBI:34346, AI3-08825, NSC-1551, NITROPHENOL, 3-, M-NITROPHENOL [MI], 3-NITROPHENOL [HSDB], DTXCID705765, MFCD00007240, UNII-T6P4T52V9W, mNitrofenol, mNitrophenol, 5-nitrophenol, Phenol, mnitro, 3-nitro phenol, Phenol, 3nitro, mHydroxynitrobenzene, 3Hydroxynitrobenzene, WLN: WNR CQ, SCHEMBL50135, MLS002415747, BIDD:ER0534, CHEMBL13888, SR-1C3, 3-Nitrophenol, puriss., 99%, SCHEMBL13815837, 3-HYDROXY-1-NITROBENZENE, NSC1551, HMS3039H09, STR00679, Tox21_200022, STK290830, AKOS000119831, AKOS015831340, AKOS024268500, m-Nitrophenol [UN1663] [Poison], 3-Nitrophenol, ReagentPlus(R), 99%, AC-3123, FN52327, NCGC00090900-01, NCGC00090900-02, NCGC00257576-01, CAS-554-84-7, SMR001370910, DB-024131, 3-Nitrophenol, purum, >=98.0% (HPLC), N0217, NS00006762, EN300-18093, A830666, AE-562/40296193, Q3598793, Z57160187, F0001-1455, 209-073-5 |
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| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | Occcccc6)[N+]=O)[O-] |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Nitrophenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 131.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-nitrophenol |
| Class | Phenols |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.0 |
| Superclass | Benzenoids |
| Subclass | Nitrophenols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H5NO3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | RTZZCYNQPHTPPL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-Hydroxy-3-nitrobenzene, 3-Hydroxynitrobenzene, m-Hydroxynitrobenzene, m-Nitrophenol, Meta-nitrophenol, m-nitrophenol |
| Esol Class | Soluble |
| Functional Groups | cO, c[N+](=O)[O-] |
| Compound Name | 3-Nitrophenol |
| Kingdom | Organic compounds |
| Exact Mass | 139.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.027 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 139.11 |
| Gi Absorption | True |
| 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/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H |
| Smiles | C1=CC(=CC(=C1)O)[N+](=O)[O-] |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Nitrophenols |
- 1. Outgoing r'ship
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