7-Chloro-1H-indole-2-carboxylic acid
Properties
- Molecular formula
- C9H6ClNO2
- Molar mass
- 195.60 g/mol
- Exact mass
- 195.0087 Da
- logP
- 2.52Crippen estimate
- Polar surface area
- 53.1 Ų
- H-bond donors / acceptors
- 2 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
28899-75-4SMILES
O=C(O)c1cc2cccc(Cl)c2[nH]1InChIKey
NVKAHBFPKVINGE-UHFFFAOYSA-NInChI
InChI=1S/C9H6ClNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11H,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 1H-Indole-2-carboxylic acid, 7-chloro-
- Indole-2-carboxylic acid, 7-chloro-
- 7-Chloro-2-indolecarboxylic acid
Work with 7-Chloro-1H-indole-2-carboxylic acid
Similar compounds
7-Hydroxy-1H-indole-2-carboxylic acid84639-84-969 % similar
7-Methyl-1H-indole-2-carboxylic acid18474-60-768 % similar
5,7-Dichloro-1H-indole-2-carboxylic acid4792-71-668 % similar
7-Nitro-1H-indole-2-carboxylic acid6960-45-860 % similar
Indole-2-carboxylic acid1477-50-558 % similar
1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-353 % similar
2,6-Dichlorobenzoic acid50-30-650 % similar
5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid800401-68-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.