5-Fluoroindole-2-carboxylic acid
Properties
- Molecular formula
- C9H6FNO2
- Molar mass
- 179.15 g/mol
- Exact mass
- 179.0383 Da
- Melting point
- 248–249 °C (decomposes)
- logP
- 2.01Crippen estimate
- Polar surface area
- 53.1 Ų
- H-bond donors / acceptors
- 2 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 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
399-76-8SMILES
O=C(O)c1cc2cc(F)ccc2[nH]1InChIKey
WTXBRZCVLDTWLP-UHFFFAOYSA-NInChI
InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/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, 5-fluoro-
- Indole-2-carboxylic acid, 5-fluoro-
- 5-Fluoro-1H-indole-2-carboxylic acid
- 2-Carboxy-5-fluoroindole
Work with 5-Fluoroindole-2-carboxylic acid
Similar compounds
5-Chloro-1H-indole-2-carboxylic acid10517-21-268 % similar
Indole-2,5-dicarboxylic acid117140-77-967 % similar
5-Hydroxyindole-2-carboxylic acid21598-06-165 % similar
5-Methylindole-2-carboxylic acid10241-97-163 % similar
5-Amino-1H-indole-2-carboxylic acid152213-40-663 % similar
5-Bromo-1H-indole-2-carboxylic acid7254-19-563 % similar
5-Trifluoromethyl-1H-indole-2-carboxylic acid496946-78-263 % similar
5,6-Difluoroindole-2-carboxylic acid169674-35-562 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.