chempirical

4-Bromo-2,5-difluoronitrobenzene

C6H2BrF2NO2CAS 167415-27-2237.99 g/mol

Open in Covalent MOL file
FBrFN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H2BrF2NO2
Molar mass
237.99 g/mol
Exact mass
236.9237 Da
logP
2.64Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
167415-27-2
SMILES
C1=C(C(=CC(=C1F)Br)F)[N+](=O)[O-]
InChIKey
GJFYMYJYPARISZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrF2NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H

Weigh it out

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

Work with 4-Bromo-2,5-difluoronitrobenzene

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

1,4-Dibromo-2-fluoro-5-nitrobenzene366496-33-580 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-569 % similar 4-Bromo-5-fluoro-2-nitrotoluene224185-19-766 % similar 2-Bromo-5-fluoro-4-nitrobenzenamine952664-69-666 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-466 % similar 1,4-Difluoro-2-methyl-5-nitrobenzene141412-60-459 % similar 4-Bromo-5-fluoro-2-nitrobenzoic acid1020717-99-057 % similar 1-Bromo-2-fluoro-4-nitrobenzene185331-69-557 % similar

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

Same formula

5-Bromo-1,3-difluoro-2-nitrobenzene147808-42-2 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-4

Elsewhere

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