chempirical

1-Bromo-4-chloro-5-fluoro-2-nitrobenzene

C6H2BrClFNO2CAS 960000-93-5254.44 g/mol

Open in Covalent MOL file
ClFBrN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H2BrClFNO2
Molar mass
254.44 g/mol
Exact mass
252.8941 Da
logP
3.15Crippen 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
960000-93-5
SMILES
C1=C(C(=CC(=C1Cl)F)Br)[N+](=O)[O-]
InChIKey
IBPDXAYILRNZRH-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrClFNO2/c7-3-1-5(9)4(8)2-6(3)10(11)12/h1-2H

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Work with 1-Bromo-4-chloro-5-fluoro-2-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-Chloro-2,4-difluoro-5-nitrobenzene1481-68-171 % similar 1,4-Dibromo-2-fluoro-5-nitrobenzene366496-33-571 % similar 1-Chloro-2-fluoro-4-methyl-5-nitrobenzene118664-99-663 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-863 % similar 4-Bromo-2,5-difluoronitrobenzene167415-27-261 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-659 % similar 1,3-Dibromo-4,6-dinitrobenzene24239-82-558 % similar 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-457 % similar

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

Elsewhere

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