chempirical

2,5-Dichlorobenzyl bromide

C7H5BrCl2CAS 85482-13-9239.92 g/mol

Open in Covalent MOL file
ClBrCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H5BrCl2
Molar mass
239.92 g/mol
Exact mass
237.8952 Da
logP
3.89Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

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
85482-13-9
SMILES
C1=CC(=C(C=C1Cl)CBr)Cl
InChIKey
UUVDOPTUDWJHFK-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrCl2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2

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Work with 2,5-Dichlorobenzyl bromide

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

2-Bromo-5-chlorobenzyl bromide66192-24-362 % similar 2,5-Dichlorobenzyl chloride2745-49-561 % similar 2-(Bromomethyl)-4-chloro-1-fluorobenzene71916-91-160 % similar 2-(Bromomethyl)-1-chloro-4-fluorobenzene81778-09-860 % similar 2-Chlorobenzyl bromide611-17-659 % similar 2,5-Dichlorobenzylamine10541-69-259 % similar 2,5-Dichlorobenzenemethanol34145-05-659 % similar 2,5-Dichlorobenzeneethanamine56133-86-955 % similar

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

Same formula

3,4-Dichlorobenzyl bromide18880-04-1 2,6-Dichlorobenzyl bromide20443-98-5 2,4-Dichlorobenzyl bromide20443-99-6 2-Bromo-1,3-dichloro-4-methylbenzene206559-41-3 2,3-Dichlorobenzyl bromide57915-78-3

Elsewhere

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