chempirical

1-(Dichloromethyl)-2-fluorobenzene

C7H5Cl2FCAS 320-65-0179.02 g/mol

Open in Covalent MOL file
FClCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H5Cl2F
Molar mass
179.02 g/mol
Exact mass
177.9752 Da
Density
1.3094 g/mL (at 18.7 °C)
Boiling point
71.6 °C (at 13 Torr)
logP
3.30Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
320-65-0
SMILES
Fc1ccccc1C(Cl)Cl
InChIKey
XFAFBKQDEPXWCS-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2F/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7H

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Names and synonyms

6 names
  • Benzene, 1-(dichloromethyl)-2-fluoro-
  • Toluene, α,α-dichloro-o-fluoro-
  • o-Fluorobenzal chloride
  • NSC 60714
  • 1-Dichloromethyl-2-fluorobenzene
  • 2-Fluoro(dichloromethyl)benzene

Work with 1-(Dichloromethyl)-2-fluorobenzene

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

1,2-Bis(dichloromethyl)benzene25641-99-062 % similar 2-Fluoro-α-methylbenzenemethanol445-26-148 % similar 1-(Dichloromethyl)-2-(trifluoromethyl)benzene707-72-248 % similar 1,2-Difluorobenzene367-11-348 % similar 1-(Dichloromethyl)-2-(trichloromethyl)benzene2741-57-345 % similar 1-Chloro-2-fluorobenzene348-51-642 % similar 2,2′-Difluoro-1,1′-biphenyl388-82-942 % similar (2-Fluorophenyl)glycine2343-27-340 % similar

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

Same formula

3-Fluoro-4-chlorobenzyl chloride160658-68-4 1-(Dichloromethyl)-3-fluorobenzene402-64-2 1-(Dichloromethyl)-4-fluorobenzene456-19-9 2-Chloro-6-fluorobenzyl chloride55117-15-2

Elsewhere

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