chempirical

Methyl 4-fluorobenzoate

C8H7FO2CAS 403-33-8154.14 g/mol

Open in Covalent MOL file
OOF
Aryl halideEster

Properties

Molecular formula
C8H7FO2
Molar mass
154.14 g/mol
Exact mass
154.0430 Da
Melting point
4.5 °C
Boiling point
197 °C
logP
1.61Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
403-33-8
SMILES
COC(=O)c1ccc(F)cc1
InChIKey
MSEBQGULDWDIRW-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

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

Names and synonyms

6 names
  • Benzoic acid, 4-fluoro-, methyl ester
  • Benzoic acid, p-fluoro-, methyl ester
  • Methyl p-fluorobenzoate
  • 4-Fluorobenzoic acid methyl ester
  • NSC 102770
  • 4-Methoxycarbonyl-1-fluorobenzene

Work with Methyl 4-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 terephthalate120-61-675 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-567 % similar Methyl m-fluorobenzoate455-68-565 % similar Methyl P-toluate99-75-262 % similar Methyl benzoate93-58-361 % similar Methyl 4-chlorobenzoate1126-46-160 % similar Methyl anisate121-98-260 % similar Methyl 4-bromobenzoate619-42-160 % 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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