Methyl 2-fluorobenzoate
Properties
- Molecular formula
- C8H7FO2
- Molar mass
- 154.14 g/mol
- Exact mass
- 154.0430 Da
- Melting point
- −20 °C
- Boiling point
- 207 °C
- logP
- 1.61Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
394-35-4SMILES
COC(=O)c1ccccc1FInChIKey
QAFJIJWLEBLXHH-UHFFFAOYSA-NInChI
InChI=1S/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoic acid, 2-fluoro-, methyl ester
- Benzoic acid, o-fluoro-, methyl ester
- Methyl o-fluorobenzoate
- 2-Fluorobenzoic acid methyl ester
- NSC 96624
Work with Methyl 2-fluorobenzoate
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
Similar compounds
Dimethyl phthalate131-11-370 % similar
Methyl 2,4-difluorobenzoate106614-28-262 % similar
Ethyl o-fluorobenzoate443-26-562 % similar
Dimethyl 2-fluoroterephthalate5292-47-762 % similar
Methyl 2-bromobenzoate610-94-659 % similar
Methyl 2-methylbenzoate89-71-459 % similar
Methyl salicylate119-36-858 % similar
Methyl anthranilate134-20-358 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
2-Fluoro-3-methoxybenzaldehyde103438-88-6
2-Fluoro-5-methoxybenzaldehyde105728-90-3
4-Fluoro-3-methoxybenzaldehyde128495-46-5
1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-2
α-Fluorobenzeneacetic acid1578-63-8
5-Fluoro-2-methoxybenzaldehyde19415-51-1
3-Fluorophenylacetic acid331-25-9
2-Fluoro-4-methoxybenzaldehyde331-64-6