3-Cyano-4-fluorobenzoic acid
Properties
- Molecular formula
- C8H4FNO2
- Molar mass
- 165.12 g/mol
- Exact mass
- 165.0226 Da
- logP
- 1.40Crippen estimate
- Polar surface area
- 61.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% 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, 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
171050-06-9SMILES
C1=CC(=C(C=C1C(=O)O)C#N)FInChIKey
JMHGATOBRPWPBZ-UHFFFAOYSA-NInChI
InChI=1S/C8H4FNO2/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Cyano-4-fluorobenzoic acid
Similar compounds
3,4-Difluorobenzoic acid455-86-762 % similar
4-Fluoro-3-hydroxybenzoic acid51446-31-257 % similar
3-Bromo-4-fluorobenzoic acid1007-16-555 % similar
3-Amino-4-fluorobenzoic acid2365-85-755 % similar
4-Fluoro-3-methylbenzoic acid403-15-655 % similar
3-Chloro-4-fluorobenzoic acid403-16-755 % similar
3-Cyano-4-(1-methylethoxy)benzoic acid258273-31-355 % similar
3-Cyano-1H-indole-5-carboxylic acid889942-87-453 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds