1-Chloro-2-fluoro-4-methylbenzene

C₇H₆ClFCAS 5527-94-6144.57 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆ClF
Molar mass: 144.57 g/mol
Exact mass: 144.0142 Da
Boiling point: 157–158 °C
logP: 2.79Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

5527-94-6

SMILES

Cc1ccc(Cl)c(F)c1

InChIKey

MHXNHUSVBYUTJL-UHFFFAOYSA-N

InChI

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

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Names and synonyms

4 names

Benzene, 1-chloro-2-fluoro-4-methyl-
Toluene, 4-chloro-3-fluoro-
4-Chloro-3-fluoromethylbenzene
3-Fluoro-4-chlorotoluene

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

3,4-Dichlorotoluene95-75-063 % similar 1-Chloro-2,4-difluorobenzene1435-44-556 % similar Chloro-P-xylene95-72-752 % similar 1-Chloro-2-fluoro-4-iodobenzene202982-67-052 % similar 4-Chloro-3-fluorophenol348-60-752 % similar 4-Chloro-3-fluorobenzenamine367-22-652 % similar 4-Bromo-3-fluorotoluene452-74-452 % similar 2-Fluoro-1-iodo-4-methylbenzene452-79-952 % 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 4-Chloro-2-fluoro-1-methylbenzene452-75-5

Elsewhere

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