chempirical

3-Bromo-4-chloroaniline

C6H5BrClNCAS 823-54-1206.47 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
logP
2.68Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
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
823-54-1
SMILES
C1=CC(=C(C=C1N)Br)Cl
InChIKey
FVZODFVCIDBDGS-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrClN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2

Weigh it out

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Work with 3-Bromo-4-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

3,4-Dibromobenzenamine615-55-460 % similar 3,4-Dichloroaniline95-76-160 % similar 2-Bromo-1,4-dichlorobenzene1435-50-356 % similar 4-Chloro-m-phenylenediamine5131-60-256 % similar 1-Bromo-2-chlorobenzene694-80-452 % similar 3-Bromo-4-chlorophenol13659-24-052 % similar 4-Amino-2-bromophenol16750-67-752 % similar 2-Bromo-1-chloro-4-fluorobenzene201849-15-252 % similar

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

Same formula

3-Bromo-6-chloro-2-methylpyridine132606-40-7 3-Bromo-2-chloro-5-methylpyridine17282-03-0 3-Bromo-2-chloro-6-picoline185017-72-5 4-Bromo-3-chloroaniline21402-26-6 5-Bromo-2-chloro-3-methylpyridine29241-60-9 4-Bromo-2-chloroaniline38762-41-3 3-Bromo-2-chloro-4-methylpyridine55404-31-4 5-Bromo-2-chloroaniline60811-17-8

Elsewhere

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