4-Bromo-3-chlorotoluene

C₇H₆BrClCAS 6627-51-6205.48 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6627-51-6

SMILES

CC1=CC(=C(C=C1)Br)Cl

InChIKey

SDTULEXOSNNGAW-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 4-Bromo-3-chlorotoluene

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

1,2-Dibromo-4-methylbenzene60956-23-263 % similar 1-Bromo-2-chlorobenzene694-80-461 % similar 3,4-Dichlorotoluene95-75-058 % similar 1-Bromo-2,4-dichlorobenzene1193-72-258 % similar 1,4-Dibromo-2-chlorobenzene3460-24-058 % similar 1-Bromo-2,4-dimethylbenzene583-70-058 % similar 2-Chloro-4-methylphenol6640-27-356 % similar Chloro-p-xylene95-72-754 % 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 2-Bromo-1-chloro-4-methylbenzene57310-39-1 2-Bromobenzyl chloride578-51-8 4-Bromobenzyl chloride589-17-3 2-Chlorobenzyl bromide611-17-6 4-Chlorobenzyl bromide622-95-7

Elsewhere

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