4-Bromo-3-chloro-2-fluoroaniline

C₆H₄BrClFNCAS 115843-99-7224.46 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄BrClFN
Molar mass: 224.46 g/mol
Exact mass: 222.9200 Da
logP: 2.82Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

115843-99-7

SMILES

C1=CC(=C(C(=C1N)F)Cl)Br

InChIKey

WYXZIQDHENNEPU-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrClFN/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2

Weigh it out

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

Work with 4-Bromo-3-chloro-2-fluoroaniline

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-2,3-difluorobenzenamine112279-72-864 % similar 4-Bromo-2,3-dichlorobenzenamine56978-48-464 % similar 3-Bromo-2-fluorobenzenamine58534-95-559 % similar 4-Amino-2-chloro-3-fluorobenzonitrile757247-99-751 % similar 3,5-Dichloro-2,4-difluorobenzenamine83121-15-745 % similar 3-Chloro-2-fluorobenzenamine2106-04-944 % similar 1-Bromo-2-chloro-4-fluoro-3-methylbenzene203302-92-543 % similar 2-Bromo-4-fluoroaniline1003-98-142 % similar

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

Same formula

2-Bromo-4-chloro-6-fluorobenzenamine195191-47-0 2-Bromo-6-chloro-4-fluorobenzenamine201849-14-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook