2-Fluorobenzoic acid
Properties
- Molecular formula
- C7H5FO2
- Molar mass
- 140.11 g/mol
- Exact mass
- 140.0274 Da
- Melting point
- 126.5 °C
- Boiling point
- 114 °C
- logP
- 1.52Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation23.1% of notifiers
- H335 May cause respiratory irritation96.2% of notifiers
Aggregated from 52 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
445-29-4SMILES
O=C(O)c1ccccc1FInChIKey
NSTREUWFTAOOKS-UHFFFAOYSA-NInChI
InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzoic acid, 2-fluoro-
- Benzoic acid, o-fluoro-
- o-Fluorobenzoic acid
- NSC 10319
Work with 2-Fluorobenzoic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3-Fluorophthalic acid1583-67-169 % similar
2,3-Difluorobenzoic acid4519-39-569 % similar
2-Chloro-3-fluorobenzoic acid102940-86-367 % similar
3-Fluoro-2-hydroxybenzoic acid341-27-567 % similar
Phthalic acid88-99-367 % similar
2-Bromo-3-fluorobenzoic acid132715-69-665 % similar
3-Fluoro-2-methylbenzoic acid699-90-165 % similar
2-Amino-3-fluorobenzoic acid825-22-965 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.