5-Nitroindole-2-carboxylic acid
Properties
- Molecular formula
- C9H6N2O4
- Molar mass
- 206.16 g/mol
- Exact mass
- 206.0328 Da
- logP
- 1.77Crippen estimate
- Polar surface area
- 96.2 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed42.9% of notifiers
- H312 Harmful in contact with skin42.9% of notifiers
- H315 Causes skin irritation85.7% of notifiers
- H319 Causes serious eye irritation85.7% of notifiers
- H332 Harmful if inhaled42.9% of notifiers
- H335 May cause respiratory irritation71.4% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
16730-20-4SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C=C(N2)C(=O)OInChIKey
LHFOJSCXLFKDIR-UHFFFAOYSA-NInChI
InChI=1S/C9H6N2O4/c12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h1-4,10H,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 5-Nitroindole-2-carboxylic acid
Similar compounds
Ethyl 5-nitroindole-2-carboxylate16732-57-359 % similar
Indole-2,5-dicarboxylic acid117140-77-959 % similar
5-Hydroxyindole-2-carboxylic acid21598-06-157 % similar
5-Methylindole-2-carboxylic acid10241-97-156 % similar
5-Chloro-1H-indole-2-carboxylic acid10517-21-256 % similar
5-Amino-1H-indole-2-carboxylic acid152213-40-656 % similar
5-Fluoroindole-2-carboxylic acid399-76-856 % similar
5-Bromo-1H-indole-2-carboxylic acid7254-19-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.