chempirical

1-Chloro-4-fluoro-2-methylbenzene

C7H6ClFCAS 33406-96-1144.57 g/mol

Open in Covalent MOL file
FCl
Aryl halide

Properties

Molecular formula
C7H6ClF
Molar mass
144.57 g/mol
Exact mass
144.0142 Da
logP
2.79Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
33406-96-1
SMILES
Cc1cc(F)ccc1Cl
InChIKey
NIOGDCDTKPQEAT-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3

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

Names and synonyms

4 names
  • Benzene, 1-chloro-4-fluoro-2-methyl-
  • Toluene, 2-chloro-5-fluoro-
  • 2-Chloro-5-fluorotoluene
  • 6,3-Chlorofluorotoluene

Work with 1-Chloro-4-fluoro-2-methylbenzene

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-Dichloro-4-fluorobenzene1435-49-060 % similar 4-Fluoro-1,2-dimethylbenzene452-64-260 % similar 1-Chloro-4-fluoro-2-iodobenzene202982-68-157 % similar 1-Chloro-4-fluoro-2-methoxybenzene450-89-557 % similar 1-Chloro-2,4-difluorobenzene1435-44-556 % similar 2,5-Dichlorotoluene19398-61-956 % similar 1,4-Difluoro-2-methylbenzene452-67-556 % similar 1-Chloro-4-iodo-2-methylbenzene116632-41-854 % similar

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

Same formula

2-Chloro-1-fluoro-4-methylbenzene1513-25-3 2-Fluorobenzyl chloride345-35-7 4-Fluorobenzyl chloride352-11-4 2-Chloro-6-fluorotoluene443-83-4 4-Chloro-1-fluoro-2-methylbenzene452-66-4 2-Chloro-4-fluoro-1-methylbenzene452-73-3 4-Chloro-2-fluoro-1-methylbenzene452-75-5 3-Fluorobenzyl chloride456-42-8

Elsewhere

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