chempirical

4-Fluorophenyl chloroformate

C7H4ClFO2CAS 38377-38-7174.56 g/mol

Open in Covalent MOL file
OClOF
Acyl halideAryl halide

Properties

Molecular formula
C7H4ClFO2
Molar mass
174.56 g/mol
Exact mass
173.9884 Da
logP
2.56Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
38377-38-7
SMILES
O=C(Cl)Oc1ccc(F)cc1
InChIKey
MSBGPEACXKBQSX-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFO2/c8-7(10)11-6-3-1-5(9)2-4-6/h1-4H

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

Names and synonyms

3 names
  • Carbonochloridic acid, 4-fluorophenyl ester
  • p-Fluorophenyl chloroformate
  • 4-Fluorophenyl carbonochloridate

Work with 4-Fluorophenyl chloroformate

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

Phenyl chloroformate1885-14-961 % similar 4-Methoxyphenyl carbonochloridate7693-41-660 % similar p-Bromophenyl chloroformate7693-44-960 % similar 4-Fluorophenyl acetate405-51-655 % similar 4-Nitrophenyl chloroformate7693-46-151 % similar 4-Fluorobenzoyl chloride403-43-045 % similar 1,1′-Oxybis[4-fluorobenzene]330-93-844 % similar (4-Fluorophenyl)(4-methoxyphenyl)methanone345-89-142 % similar

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

Same formula

2-Chloro-3-fluorobenzoic acid102940-86-3 2-Chloro-5-fluorobenzoic acid2252-50-8 2-Chloro-4-fluorobenzoic acid2252-51-9 5-Chloro-2-fluorobenzoic acid394-30-9 3-Chloro-4-fluorobenzoic acid403-16-7 4-Chloro-3-fluorobenzoic acid403-17-8 2-Chloro-6-fluorobenzoic acid434-75-3 4-Chloro-2-fluorobenzoic acid446-30-0

Elsewhere

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