2-Bromo-1-chloro-4-methylbenzene

C₇H₆BrClCAS 57310-39-1205.48 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆BrCl
Molar mass: 205.48 g/mol
Exact mass: 203.9341 Da
logP: 3.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

57310-39-1

SMILES

Cc1ccc(Cl)c(Br)c1

InChIKey

UWXPTVKKHVOZLJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrCl/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3

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Names and synonyms

4 names

Benzene, 2-bromo-1-chloro-4-methyl-
Toluene, 3-bromo-4-chloro-
3-Bromo-4-chlorotoluene
NSC 139876

Work with 2-Bromo-1-chloro-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

3,4-Dichlorotoluene95-75-063 % similar 1,2-Dibromo-4-methylbenzene60956-23-260 % similar 2-Bromo-1,4-dichlorobenzene1435-50-356 % similar Bromo-P-xylene553-94-656 % similar 2-Chloro-4-methylphenol6640-27-354 % similar 1-Bromo-2-chlorobenzene694-80-452 % similar Chloro-P-xylene95-72-752 % similar 2-Bromo-1-chloro-4-fluorobenzene201849-15-252 % similar

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

Same formula

1-Bromo-4-chloro-2-methylbenzene14495-51-3 2-Bromo-4-chloro-1-methylbenzene27139-97-5 5-Bromo-2-chlorotoluene54932-72-8 4-Bromobenzyl chloride589-17-3 2-Chlorobenzyl bromide611-17-6 4-Chlorobenzyl bromide622-95-7 2-Bromo-6-chlorotoluene62356-27-8 3-Chlorobenzyl bromide766-80-3

Elsewhere

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