chempirical

Ethyl o-fluorobenzoate

C9H9FO2CAS 443-26-5168.17 g/mol

Open in Covalent MOL file
OOF
Aryl halideEster

Properties

Molecular formula
C9H9FO2
Molar mass
168.17 g/mol
Exact mass
168.0587 Da
Density
1.1261 g/mL (at 40 °C)
Boiling point
85.5 °C (at 8 Torr)
logP
2.00Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
443-26-5
SMILES
CCOC(=O)c1ccccc1F
InChIKey
RUWPGPOBTHOLHF-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3

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

Names and synonyms

5 names
  • Benzoic acid, 2-fluoro-, ethyl ester
  • Benzoic acid, o-fluoro-, ethyl ester
  • Ethyl 2-fluorobenzoate
  • NSC 67340
  • 2-Fluorobenzoic acid ethyl ester

Work with Ethyl o-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl phthalate84-66-273 % similar Ethyl 2,4-difluorobenzoate108928-00-365 % similar Ethyl 2-bromobenzoate6091-64-163 % similar Ethyl 2-methylbenzoate87-24-163 % similar Methyl 2-fluorobenzoate394-35-462 % similar Ethyl salicylate118-61-661 % similar Ethyl 2-iodobenzoate1829-28-361 % similar Ethyl 2-ethoxybenzoate6290-24-061 % similar

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

Same formula

Ethyl 3-fluorobenzoate451-02-5 Ethyl 4-fluorobenzoate451-46-7 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-4 3-(3-Fluorophenyl)propionic acid458-45-7 3-(4-Fluorophenyl)propionic acid459-31-4 1-(4-Fluoro-2-methoxyphenyl)ethanone51788-80-8 2-Fluoro-4-methylbenzeneacetic acid518070-28-5 1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-0

Elsewhere

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