6-Fluoroindole-2-carboxylic acid
Properties
- Molecular formula
- C9H6FNO2
- Molar mass
- 179.15 g/mol
- Exact mass
- 179.0383 Da
- 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 irritation50% of notifiers
Aggregated from 2 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
3093-97-8SMILES
C1=CC2=C(C=C1F)NC(=C2)C(=O)OInChIKey
LRTIKMXIKAOCDM-UHFFFAOYSA-NInChI
InChI=1S/C9H6FNO2/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.
Work with 6-Fluoroindole-2-carboxylic acid
Similar compounds
6-Bromo-1H-indole-2-carboxylic acid16732-65-363 % similar
6-Chloro-1H-indole-2-carboxylic acid16732-75-563 % similar
6-(Trifluoromethyl)-1H-indole-2-carboxylic acid327-20-863 % similar
5,6-Difluoroindole-2-carboxylic acid169674-35-562 % similar
Indole-2-carboxylic acid1477-50-561 % similar
6-Methoxy-1H-indole-2-carboxylic acid16732-73-359 % similar
4,6-Difluoro-1H-indole-2-carboxylic acid247564-66-557 % similar
5-Chloro-1H-indole-2-carboxylic acid10517-21-255 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds