1-Bromo-4-chloro-2-methylbenzene

C₇H₆BrClCAS 14495-51-3205.48 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆BrCl
Molar mass: 205.48 g/mol
Exact mass: 203.9341 Da
Boiling point: 120–125 °C (at 15 Torr)
logP: 3.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

14495-51-3

SMILES

Cc1cc(Cl)ccc1Br

InChIKey

RTIPTGMVQIIMKL-UHFFFAOYSA-N

InChI

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

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Names and synonyms

4 names

Benzene, 1-bromo-4-chloro-2-methyl-
Toluene, 2-bromo-5-chloro-
2-Bromo-5-chlorotoluene
1-Bromo-2-methyl-4-chlorobenzene

Work with 1-Bromo-4-chloro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-1,2-dimethylbenzene615-60-160 % similar 1-Bromo-2,4-dichlorobenzene1193-72-256 % similar 2,5-Dichlorotoluene19398-61-956 % similar 1-Bromo-2,4-dimethylbenzene583-70-056 % similar 2,5-Dibromotoluene615-59-856 % similar 4-Chloro-O-toluidine95-69-254 % similar 2-Bromo-5-chlorophenol13659-23-952 % similar 4-Bromo-3-methylphenol14472-14-152 % similar

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

Same formula

2-Bromo-4-chloro-1-methylbenzene27139-97-5 5-Bromo-2-chlorotoluene54932-72-8 2-Bromo-1-chloro-4-methylbenzene57310-39-1 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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