1-Bromo-2-chloro-4-nitrobenzene

C₆H₃BrClNO₂CAS 29682-39-1236.45 g/mol

Open in Covalent MOL file

Halogen Nitro Tertiary Amine

Properties

Molecular formula: C₆H₃BrClNO₂
Molar mass: 236.45 g/mol
Exact mass: 234.9036 Da
logP: 3.01Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

29682-39-1

SMILES

O=[N+]([O-])c1ccc(Br)c(Cl)c1

InChIKey

YKSXEJZFIQAUHJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrClNO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

Weigh it out

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

Names and synonyms

3 names

Benzene, 1-bromo-2-chloro-4-nitro-
3-Chloro-4-bromonitrobenzene
4-Bromo-3-chloronitrobenzene

Work with 1-Bromo-2-chloro-4-nitrobenzene

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

Same formula

4-Bromo-1-chloro-2-nitrobenzene16588-24-2 2-Bromo-1-chloro-4-nitrobenzene16588-26-4 1-Bromo-2-chloro-3-nitrobenzene3970-37-4 1-Bromo-4-chloro-2-nitrobenzene41513-04-6

Elsewhere

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