chempirical

4,4′-Dinitro-1,1′-biphenyl

C12H8N2O4CAS 1528-74-1244.21 g/mol

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Nitro

Properties

Molecular formula
C12H8N2O4
Molar mass
244.21 g/mol
Exact mass
244.0484 Da
Melting point
240–243 °C
logP
3.17Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
1528-74-1
SMILES
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIKey
BDLNCFCZHNKBGI-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H

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Names and synonyms

6 names
  • 1,1′-Biphenyl, 4,4′-dinitro-
  • Biphenyl, 4,4′-dinitro-
  • 4,4′-Dinitrobiphenyl
  • 4,4′-Dinitrodiphenyl
  • NSC 8738
  • 1-Nitro-4-(4-nitrophenyl)benzene

Work with 4,4′-Dinitro-1,1′-biphenyl

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-Dinitrobenzene100-25-483 % similar 4-Nitro-1,1′-biphenyl92-93-382 % similar 4-Iodo-4′-nitro-1,1′-biphenyl29170-08-975 % similar 4′-Nitro[1,1′-biphenyl]-4-ol3916-44-775 % similar Nitrobenzene98-95-364 % similar 4-Nitrochlorobenzene100-00-563 % similar 4-Nitroaniline100-01-663 % similar 4-Nitrophenol100-02-763 % similar

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

Same formula

[2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-8 2,2′-Dinitrobiphenyl2436-96-6

Elsewhere

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