2-Nitrophenol
PubChem CID: 6947
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| Compound Synonyms | 2-NITROPHENOL, o-Nitrophenol, 88-75-5, 2-Hydroxynitrobenzene, Phenol, 2-nitro-, NITROPHENOL, o-Hydroxynitrobenzene, Phenol, o-nitro-, o-Nitrofenol, 2-nitro-phenol, 25154-55-6, MFCD00011688, BD148E95KD, DTXSID1021790, CHEBI:16260, Hydroxy(2-Hydroxyphenyl)oxoammonium, NSC-1552, ortho-nitrophenol, DTXCID201790, o-Nitrofenol [Czech], CAS-88-75-5, CCRIS 2314, HSDB 1133, o-Nitrophenol (molten), NSC 1552, EINECS 201-857-5, UNII-BD148E95KD, AI3-14893, o-nitro-phenol, 0-nitrophenol, 2-nitro phenol, hydroxynitrobenzene, CG3, OPO, NITROPHENOLATE, 2-nitrophenyl alcohol, o-Nitrophenol [UN1663] [Poison], 2-Nitrophenol, 98%, PHENOL, O-NITRO, 2-Nitrophenol-UL-14C, WLN: WNR BQ, EC 201-857-5, 2-Nitrophenol, 99.0%, O-NITROPHENOL [MI], SCHEMBL26026, 2-NITROPHENOL [HSDB], BIDD:ER0656, CHEMBL14205, 1-OH, SR-1C4, SCHEMBL11524557, SCHEMBL16254545, NSC1552, BCP25852, STR00905, Tox21_201442, Tox21_302758, STK011520, AKOS000118749, CCG-321789, FN03765, UN 1663, NCGC00090898-01, NCGC00090898-02, NCGC00256357-01, NCGC00258993-01, 2-Nitrophenol 100 microg/mL in Methanol, DB-371590, 2-Nitrophenol, purum, >=98.0% (HPLC), N0153, N0219, NS00010607, EN300-18135, C01988, 2-Nitrophenol, PESTANAL(R), analytical standard, AB-131/40228446, Q18907378, F3146-3482, InChI=1/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8, 78813-12-4 |
|---|---|
| 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 | [O-][N+]=O)cccccc6O |
| 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 | 2-nitrophenol |
| Class | Phenols |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.8 |
| Superclass | Benzenoids |
| Subclass | Nitrophenols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H5NO3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | IQUPABOKLQSFBK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-Hydroxynitrobenzene, O-Hydroxynitrobenzene, O-Nitrophenol, 2-Nitrophenol, ammonium salt, Ortho-nitrophenol, 2-Nitrophenol, sodium salt, 2-nitrophenol, o-nitrophenol |
| Esol Class | Soluble |
| Functional Groups | cO, c[N+](=O)[O-] |
| Compound Name | 2-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/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H |
| Smiles | C1=CC=C(C(=C1)[N+](=O)[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
FOUND_INto/from Gardenia Jasminoides (Plant) Rel Props:Reference:ISBN:9788172362300 - 2. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698759 - 3. Outgoing r'ship
FOUND_INto/from Pistacia Chinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700907