6-(Trifluoromethyl)-1H-indole-2-carboxylic acid
Properties
- Molecular formula
- C10H6F3NO2
- Molar mass
- 229.16 g/mol
- Exact mass
- 229.0351 Da
- Melting point
- 163–164 °C
- logP
- 2.88Crippen 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
327-20-8SMILES
O=C(O)c1cc2ccc(C(F)(F)F)cc2[nH]1InChIKey
CDWGDLKZKCYUFO-UHFFFAOYSA-NInChI
InChI=1S/C10H6F3NO2/c11-10(12,13)6-2-1-5-3-8(9(15)16)14-7(5)4-6/h1-4,14H,(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-
- Indole-2-carboxylic acid, 6-(trifluoromethyl)-
Work with 6-(Trifluoromethyl)-1H-indole-2-carboxylic acid
Similar compounds
6-Fluoroindole-2-carboxylic acid3093-97-863 % similar
6-Bromo-1H-indole-2-carboxylic acid16732-65-359 % similar
6-Chloro-1H-indole-2-carboxylic acid16732-75-559 % similar
Indole-2-carboxylic acid1477-50-556 % similar
6-Methoxy-1H-indole-2-carboxylic acid16732-73-355 % similar
5,6-Difluoroindole-2-carboxylic acid169674-35-554 % similar
4-(Trifluoromethyl)phthalic acid835-58-553 % similar
4-Hydroxy-7-(trifluoromethyl)-3-quinolinecarboxylic acid574-92-552 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds