chempirical

4-Bromo-2-chloroaniline

C6H5BrClNCAS 38762-41-3206.47 g/mol

Open in Covalent MOL file
H2NBrCl
Aryl halidePrimary amine

Properties

Molecular formula
C6H5BrClN
Molar mass
206.47 g/mol
Exact mass
204.9294 Da
Melting point
70.5–72 °C
logP
2.68Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
38762-41-3
SMILES
Nc1ccc(Br)cc1Cl
InChIKey
INMZDDDQLHKGPF-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

Weigh it out

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

Names and synonyms

5 names
  • Benzenamine, 4-bromo-2-chloro-
  • Aniline, 4-bromo-2-chloro-
  • 4-Bromo-2-chlorobenzenamine
  • 2-Chloro-4-bromoaniline
  • 4-Bromo-2-chlorophenylamine

Work with 4-Bromo-2-chloroaniline

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-Bromo-1,2-benzenediamine1575-37-760 % similar 4-Bromo-1,2-dichlorobenzene18282-59-260 % similar 3,3'-Dichlorobenzidine91-94-158 % similar 4-Amino-3-chlorophenol17609-80-257 % similar 2,4-Dichloroaniline554-00-756 % similar 2,4-Dibromoaniline615-57-656 % similar 2-Chloro-P-phenylenediamine615-66-756 % similar 4-Bromo-2-chlorophenol3964-56-554 % similar

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

Same formula

3-Bromo-6-chloro-2-methylpyridine132606-40-7 3-Bromo-2-chloro-5-methylpyridine17282-03-0 4-Bromo-3-chloroaniline21402-26-6 3-Bromo-2-chloro-4-methylpyridine55404-31-4 2-Bromo-5-chlorobenzenamine823-57-4 2-Bromo-4-chloroaniline873-38-1

Elsewhere

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