2-Chloro-1-fluoro-4-methylbenzene

C₇H₆ClFCAS 1513-25-3144.57 g/mol

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Properties

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

Identifiers

CAS number

1513-25-3

SMILES

Cc1ccc(F)c(Cl)c1

InChIKey

IKNQPNLSEBWZKX-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

3 names

Benzene, 2-chloro-1-fluoro-4-methyl-
Toluene, 3-chloro-4-fluoro-
3-Chloro-4-fluorotoluene

Work with 2-Chloro-1-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Chloro-2-fluoro-4-methylbenzene5527-94-672 % similar 3,4-Dichlorotoluene95-75-058 % similar 2,4-Dichlorofluorobenzene1435-48-958 % similar Chloro-P-xylene95-72-754 % similar 2-Chloro-1-fluoro-4-iodobenzene156150-67-354 % similar 3-Chloro-4-fluorophenol2613-23-254 % similar 3-Chloro-4-fluoroaniline367-21-554 % similar 2-Bromo-1-fluoro-4-methylbenzene452-62-054 % similar

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

Same formula

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 3-Fluorobenzyl chloride456-42-8

Elsewhere

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