chempirical

2-Fluorobenzeneacetyl chloride

C8H6ClFOCAS 451-81-0172.58 g/mol

Open in Covalent MOL file
OClF
Acyl halideAryl halide

Properties

Molecular formula
C8H6ClFO
Molar mass
172.58 g/mol
Exact mass
172.0091 Da
Boiling point
203–204 °C
logP
2.13Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
451-81-0
SMILES
O=C(Cl)Cc1ccccc1F
InChIKey
KUMKNGTWQNSAQW-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO/c9-8(11)5-6-3-1-2-4-7(6)10/h1-4H,5H2

Weigh it out

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

Names and synonyms

4 names
  • Benzeneacetyl chloride, 2-fluoro-
  • Acetyl chloride, (o-fluorophenyl)-
  • o-Fluorophenylacetyl chloride
  • 2-(2-Fluorophenyl)acetyl chloride

Work with 2-Fluorobenzeneacetyl chloride

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

1-(2-Fluorophenyl)-2-propanone2836-82-058 % similar (2-Fluorophenyl)acetic acid451-82-158 % similar Phenylacetyl chloride103-80-052 % similar 2-Fluorobenzyl chloride345-35-748 % similar 2-Fluorobenzoyl chloride393-52-244 % similar 2-Fluorobenzyl bromide446-48-044 % similar 2-Fluorobenzyl alcohol446-51-544 % similar 2-Fluorobenzylamine89-99-644 % similar

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

Same formula

2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-2 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-8 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-2 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-4 2-Chloro-4′-fluoroacetophenone456-04-2 2-(4-Fluorophenyl)acetyl chloride459-04-1 1-(2-Chloro-4-fluorophenyl)ethanone700-35-6 1-(3-Chloro-5-fluorophenyl)ethanone842140-52-7

Elsewhere

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