6-Chloro-1H-indole-2-carboxylic acid
Properties
- Molecular formula
- C9H6ClNO2
- Molar mass
- 195.60 g/mol
- Exact mass
- 195.0087 Da
- Melting point
- 248–249 °C
- logP
- 2.52Crippen estimate
- Polar surface area
- 53.1 Ų
- H-bond donors / acceptors
- 2 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 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
16732-75-5SMILES
O=C(O)c1cc2ccc(Cl)cc2[nH]1InChIKey
BKPSJOSKWKTWAG-UHFFFAOYSA-NInChI
InChI=1S/C9H6ClNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1H-Indole-2-carboxylic acid, 6-chloro-
- Indole-2-carboxylic acid, 6-chloro-
- 6-Chloroindole-2-carboxylic acid
- 2-Carboxy-6-chloroindole
Work with 6-Chloro-1H-indole-2-carboxylic acid
Similar compounds
7-Chlorokynurenic acid18000-24-365 % similar
6-Bromo-1H-indole-2-carboxylic acid16732-65-363 % similar
6-Fluoroindole-2-carboxylic acid3093-97-863 % similar
Indole-2-carboxylic acid1477-50-561 % similar
6-Methoxy-1H-indole-2-carboxylic acid16732-73-359 % similar
6-(Trifluoromethyl)-1H-indole-2-carboxylic acid327-20-859 % similar
4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-657 % similar
1H-Pyrrolo(2,3-c)pyridine-2-carboxylic acid24334-20-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.