Methyl m-fluorobenzoate

C₈H₇FO₂CAS 455-68-5154.14 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₇FO₂
Molar mass: 154.14 g/mol
Exact mass: 154.0430 Da
Melting point: −10 °C
Boiling point: 194–195 °C
logP: 1.61Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

455-68-5

SMILES

COC(=O)c1cccc(F)c1

InChIKey

YXZNVLYXBIIIOB-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzoic acid, 3-fluoro-, methyl ester
Benzoic acid, m-fluoro-, methyl ester
Methyl 3-fluorobenzoate
3-Fluorobenzoic acid methyl ester

Work with Methyl m-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 isophthalate1459-93-475 % similar Methyl 4-fluorobenzoate403-33-865 % similar m-Chlorobenzoic acid methyl ester2905-65-964 % similar Methyl 3-bromobenzoate618-89-364 % similar Methyl m-toluate99-36-564 % similar Ethyl 3-fluorobenzoate451-02-563 % similar Methyl 3-hydroxybenzoate19438-10-962 % similar Methyl 3-aminobenzoate4518-10-962 % 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

Elsewhere

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