chempirical

1-Bromo-3-chloro-5-nitrobenzene

C6H3BrClNO2CAS 219817-43-3236.45 g/mol

Open in Covalent MOL file
ClBrN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H3BrClNO2
Molar mass
236.45 g/mol
Exact mass
234.9036 Da
logP
3.01Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
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
219817-43-3
SMILES
C1=C(C=C(C=C1Cl)Br)[N+](=O)[O-]
InChIKey
CVXDZAQINLBEIC-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClNO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H

Weigh it out

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

Work with 1-Bromo-3-chloro-5-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

Similar compounds

1-Bromo-3,5-dinitrobenzene18242-39-271 % similar 3,5-Dichloronitrobenzene618-62-271 % similar 3,5-Dibromonitro benzene6311-60-071 % similar 1-Bromo-3-fluoro-5-nitrobenzene7087-65-261 % similar 1-Bromo-3-nitrobenzene585-79-558 % similar 3-Bromo-5-nitrobenzaldehyde355134-13-356 % similar 3-Nitrochlorobenzene121-73-355 % similar 1-Bromo-3-methoxy-5-nitrobenzene16618-67-054 % similar

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

Same formula

4-Bromo-1-chloro-2-nitrobenzene16588-24-2 2-Bromo-1-chloro-4-nitrobenzene16588-26-4 2-Bromo-1-chloro-3-nitrobenzene19128-48-4 5-Bromo-6-chloropyridine-3-carboxylic acid29241-62-1 5-Bromo-2-chloronicotinic acid29241-65-4 1-Bromo-2-chloro-4-nitrobenzene29682-39-1 1-Bromo-2-chloro-3-nitrobenzene3970-37-4 1-Bromo-4-chloro-2-nitrobenzene41513-04-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook