| Phytochemical Name : 2-Nitrobenzoic acid |
| PCNDIDOT0654 |
| Pubchem CID : 11087 |
| Molecular formula: C7H5NO4 |
| Canonical SMILES : C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-] |
Synonymes : 2-NITROBENZOIC ACID|552-16-9|o-Nitrobenzoic acid|2-nitrobenzoicacid|Benzoic acid, 2-nitro-|o-Carboxynitrobenzene|Benzoic acid, o-nitro-|2-nitro-benzoic acid|Nitrobenzoic acid|CCRIS 2334|2-nitro benzoic acid|ortho-nitrobenzoic acid|NSC 9576|EINECS 209-004-9|MFCD00007137|AI3-08821|DTXSID5025738|CHEBI:25620|S6S4653K7Z|NSC-9576|Benzoic acid, nitro-|nitro benzoic acid|2-nitro-benzoicaci|6-nitro-benzoic acid|2-Nitrobenzoic acid, 95%|Oprea1_474365|SCHEMBL78205|UNII-S6S4653K7Z|NITROBENZOIC ACID, 2-|CCRIS-2334|CHEMBL114719|DTXCID005738|SCHEMBL17461588|Nitrobenzoic acid (o,m, and p)|NSC9576|2-Nitrobenzoic acid-ring-ul-14c|Tox21_201020|AC-652|STL168882|AKOS000119255|AM87062|CS-W020072|LS-1360|NCGC00091364-01|NCGC00091364-02|NCGC00258573-01|AS-11055|CAS-552-16-9|SY005662|FT-0650584|N0155|EN300-18349|BENZOIC ACID,2-NITRO MFC7 H5 N1 O4|D71183|2-Nitrobenzoic acid, purum, >=97.0% (HPLC)|2-Nitrobenzoic acid, technical, >=85% (HPLC)|AB-131/40245354|2-Nitrobenzoic acid, Vetec(TM) reagent grade, 94%|Q-200311|Q19810380|Z57160141|2-Nitrobenzoic acid, 95%, Contains 3- and 4-isomers|F3096-1719|104810-18-6 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.830 |
| Log Po/w (XLOGP3) : 1.460 |
| Log Po/w (WLOGP) : 1.290 |
| Log Po/w (MLOGP) : 0.510 |
| Log Po/w (SILICOS-IT) : -0.930 |
| Consensus Log Po/w : 0.630 |