3-Amino-4-nitrobenzoic acid
Properties
- Molecular formula
- C7H6N2O4
- Molar mass
- 182.13 g/mol
- Exact mass
- 182.0328 Da
- logP
- 0.88Crippen estimate
- Polar surface area
- 106.5 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
6968-22-5SMILES
C1=CC(=C(C=C1C(=O)O)N)[N+](=O)[O-]InChIKey
LYCCVBLUKJRDOF-UHFFFAOYSA-NInChI
InChI=1S/C7H6N2O4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,8H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Amino-4-nitrobenzoic acid
Similar compounds
3,4-Dinitrobenzoic acid528-45-072 % similar
3-Hydroxy-4-nitrobenzoic acid619-14-767 % similar
3-Bromo-4-nitrobenzoic acid101420-81-965 % similar
3-Methyl-4-nitrobenzoic acid3113-71-165 % similar
3-Chloro-4-nitrobenzoic acid39608-47-465 % similar
3-Fluoro-4-nitrobenzoic acid403-21-465 % similar
3-Methoxy-4-nitrobenzoic acid5081-36-764 % similar
Nitroterephthalic acid610-29-764 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.