5-Fluoro-1H-indole-3-carboxylic acid
Properties
- Molecular formula
- C9H6FNO2
- Molar mass
- 179.15 g/mol
- Exact mass
- 179.0383 Da
- Melting point
- 234–236 °C (decomposes)
- logP
- 2.01Crippen 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
23077-43-2SMILES
O=C(O)c1c[nH]c2ccc(F)cc12InChIKey
SDZBAXLIHRBNOV-UHFFFAOYSA-NInChI
InChI=1S/C9H6FNO2/c10-5-1-2-8-6(3-5)7(4-11-8)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
3 names
- 1H-Indole-3-carboxylic acid, 5-fluoro-
- Indole-3-carboxylic acid, 5-fluoro-
- 5-Fluoroindole-3-carboxylic acid
Work with 5-Fluoro-1H-indole-3-carboxylic acid
Similar compounds
1,4-Dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid343-10-279 % similar
5-Bromo-1H-indole-3-carboxylic acid10406-06-166 % similar
5-Chloroindole-3-carboxylic acid10406-05-064 % similar
5-Methoxy-1H-indole-3-carboxylic acid10242-01-061 % similar
Indole-3-carboxylic acid771-50-659 % similar
5-Nitroindole-3-carboxylic acid6958-37-857 % similar
5-Fluoroindole-3-acetic acid443-73-256 % similar
4-Fluorophthalic acid320-97-856 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.