chempirical

3-Fluorobenzoyl chloride

C7H4ClFOCAS 1711-07-5158.56 g/mol

Open in Covalent MOL file
OClF
Acyl halideAryl halide

Properties

Molecular formula
C7H4ClFO
Molar mass
158.56 g/mol
Exact mass
157.9935 Da
Melting point
−30 °C
Boiling point
189 °C
logP
2.20Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
1711-07-5
SMILES
O=C(Cl)c1cccc(F)c1
InChIKey
SYVNVEGIRVXRQH-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H

Weigh it out

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

Names and synonyms

6 names
  • Benzoyl chloride, 3-fluoro-
  • Benzoyl chloride, m-fluoro-
  • m-Fluorobenzoic acid chloride
  • m-Fluorobenzoyl chloride
  • NSC 88315
  • 3-Fluorobenzenecarbonyl chloride

Work with 3-Fluorobenzoyl 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

Isophthaloyl chloride99-63-872 % similar 3,5-Difluorobenzoyl chloride129714-97-267 % similar 3-Chlorobenzoyl chloride618-46-262 % similar 3,3′-Difluorobenzophenone345-70-061 % similar 3-Bromobenzoyl chloride1711-09-760 % similar 3-Methylbenzoyl chloride1711-06-458 % similar 3-Iodobenzoyl chloride1711-10-058 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-258 % similar

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

Same formula

3-Chloro-4-fluorobenzaldehyde34328-61-5 2-Chloro-6-fluorobenzaldehyde387-45-1 2-Fluorobenzoyl chloride393-52-2 4-Fluorobenzoyl chloride403-43-0 4-Chloro-3-fluorobenzaldehyde5527-95-7 2-Chloro-4-fluorobenzaldehyde84194-36-5 3-Chloro-2-fluorobenzaldehyde85070-48-0

Elsewhere

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