chempirical

4-Chloro-1-fluoro-2-methylbenzene

C7H6ClFCAS 452-66-4144.57 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
Boiling point
164–166 °C
logP
2.79Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
452-66-4
SMILES
Cc1cc(Cl)ccc1F
InChIKey
JOXXHDGUTVUBDL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 4-chloro-1-fluoro-2-methyl-
  • Toluene, 5-chloro-2-fluoro-
  • 2-Fluoro-5-chlorotoluene
  • 5-Chloro-2-fluorotoluene

Work with 4-Chloro-1-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-1,2-dimethylbenzene615-60-160 % similar 4-Chloro-1,2-difluorobenzene696-02-660 % similar 2,4-Dichlorofluorobenzene1435-48-956 % similar 2,5-Dichlorotoluene19398-61-956 % similar 1,4-Difluoro-2-methylbenzene452-67-556 % similar 1-Fluoro-4-iodo-2-methylbenzene452-68-654 % similar 4-Chloro-O-toluidine95-69-254 % similar 1-Bromo-4-chloro-2-methylbenzene14495-51-352 % 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 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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