4-Chloro-2-fluoro-1-methylbenzene

C₇H₆ClFCAS 452-75-5144.57 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆ClF
Molar mass: 144.57 g/mol
Exact mass: 144.0142 Da
Boiling point: 158 °C (at 743 Torr)
logP: 2.79Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

452-75-5

SMILES

Cc1ccc(Cl)cc1F

InChIKey

MKFCYQTVSDCXAQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

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Names and synonyms

4 names

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

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

4-Chloro-1,2-dimethylbenzene615-60-160 % similar 4-Chloro-1,2-difluorobenzene696-02-660 % similar 4-Chloro-2-fluoro-1-iodobenzene6797-79-157 % similar 2,4-Difluoro-1-methylbenzene452-76-656 % similar 2,4-Dichlorotoluene95-73-856 % similar 2-Fluoro-4-iodo-1-methylbenzene39998-81-754 % similar 2-Bromo-4-chloro-1-methylbenzene27139-97-552 % similar 4-Chloro-2-fluorophenol348-62-952 % 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 3-Fluorobenzyl chloride456-42-8

Elsewhere

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