chempirical

1-Chloro-2-fluoro-3-methylbenzene

C7H6ClFCAS 85089-31-2144.57 g/mol

Open in Covalent MOL file
ClF
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
85089-31-2
SMILES
Cc1cccc(Cl)c1F
InChIKey
LHPJOUKIBAEPMW-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3

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Names and synonyms

2 names
  • Benzene, 1-chloro-2-fluoro-3-methyl-
  • 3-Chloro-2-fluorotoluene

Work with 1-Chloro-2-fluoro-3-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

2-Fluoro-1,3-dimethylbenzene443-88-968 % similar 1,3-Dichloro-2-fluorobenzene2268-05-564 % similar 2-Chlorotoluene95-49-858 % similar 1,2-Difluoro-3-methylbenzene3828-49-758 % similar 1-Bromo-2-fluoro-3-methylbenzene59907-12-956 % similar 1-Chloro-2-fluoro-3-iodobenzene72373-82-156 % similar 2,3-Dichlorotoluene32768-54-054 % similar 1-Chloro-2,3-dimethylbenzene608-23-154 % similar

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

Same formula

2-Chloro-1-fluoro-4-methylbenzene1513-25-3 1-Chloro-4-fluoro-2-methylbenzene33406-96-1 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

Elsewhere

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