7-Nitro-1H-indole-2-carboxylic acid
Properties
- Molecular formula
- C9H6N2O4
- Molar mass
- 206.16 g/mol
- Exact mass
- 206.0328 Da
- Melting point
- 231 °C
- logP
- 1.77Crippen estimate
- Polar surface area
- 96.2 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H315 Causes skin irritation11.4% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled88.6% of notifiers
- H335 May cause respiratory irritation11.4% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
6960-45-8SMILES
O=C(O)c1cc2cccc([N+](=O)[O-])c2[nH]1InChIKey
BIUCOFQROHIAEO-UHFFFAOYSA-NInChI
InChI=1S/C9H6N2O4/c12-9(13)6-4-5-2-1-3-7(11(14)15)8(5)10-6/h1-4,10H,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1H-Indole-2-carboxylic acid, 7-nitro-
- Indole-2-carboxylic acid, 7-nitro-
- 7-Nitroindol-2-carboxylic acid
- 7-Nitro-2-indolecarboxylic acid
- NSC 69877
- CRT 0044876
Work with 7-Nitro-1H-indole-2-carboxylic acid
Similar compounds
Ethyl 7-nitroindole-2-carboxylate6960-46-960 % similar
7-Chloro-1H-indole-2-carboxylic acid28899-75-460 % similar
7-Hydroxy-1H-indole-2-carboxylic acid84639-84-958 % similar
7-Methyl-1H-indole-2-carboxylic acid18474-60-757 % similar
2-Chloro-6-nitrobenzoic acid5344-49-053 % similar
2-Bromo-3-nitrobenzoic acid573-54-652 % similar
2-Nitrobenzoic acid552-16-951 % similar
3-Nitrophthalic acid603-11-251 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.