chempirical

Dimethyl 2-fluoroterephthalate

C10H9FO4CAS 5292-47-7212.18 g/mol

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Aryl halideEster

Properties

Molecular formula
C10H9FO4
Molar mass
212.18 g/mol
Exact mass
212.0485 Da
Melting point
82–83 °C
logP
1.40Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
5292-47-7
SMILES
COC(=O)c1ccc(C(=O)OC)c(F)c1
InChIKey
NCRFSIQSCLJDIC-UHFFFAOYSA-N
InChI
InChI=1S/C10H9FO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3

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Names and synonyms

4 names
  • 1,4-Benzenedicarboxylic acid, 2-fluoro-, 1,4-dimethyl ester
  • Terephthalic acid, fluoro-, dimethyl ester
  • 1,4-Benzenedicarboxylic acid, 2-fluoro-, dimethyl ester
  • 1,4-Dimethyl 2-fluorobenzene-1,4-dicarboxylate

Work with Dimethyl 2-fluoroterephthalate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3,4-difluorobenzoate369-25-575 % similar Methyl 2,4-difluorobenzoate106614-28-271 % similar Trimethyl trimellitate2459-10-169 % similar Dimethyl 3-aminoterephthalate5372-81-663 % similar 3-Amino-4-fluorobenzoic acid methyl ester369-26-662 % similar Methyl 3-bromo-4-fluorobenzoate82702-31-662 % similar Methyl 2-fluorobenzoate394-35-462 % similar [3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid505083-04-562 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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