chempirical

5,5′-Dichloro-3,3′-dinitro[1,1′-biphenyl]-2,2′-diol

C12H6Cl2N2O6CAS 10331-57-4345.09 g/mol

Open in Covalent MOL file
ON+O−ClClN+OO−OHHO
Aryl halideNitroPhenol

Properties

Molecular formula
C12H6Cl2N2O6
Molar mass
345.09 g/mol
Exact mass
343.9603 Da
logP
3.89Crippen estimate
Polar surface area
126.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3

Identifiers

CAS number
10331-57-4
SMILES
O=[N+]([O-])c1cc(Cl)cc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1O
InChIKey
XULACPAEUUWKFX-UHFFFAOYSA-N
InChI
InChI=1S/C12H6Cl2N2O6/c13-5-1-7(11(17)9(3-5)15(19)20)8-2-6(14)4-10(12(8)18)16(21)22/h1-4,17-18H

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Names and synonyms

21 names · show all
  • [1,1′-Biphenyl]-2,2′-diol, 5,5′-dichloro-3,3′-dinitro-
  • 2,2′-Biphenyldiol, 5,5′-dichloro-3,3′-dinitro-
  • o,o′-Biphenol, 4,4′-dichloro-6,6′-dinitro-
  • 9015A
  • 3,3′-Dinitro-5,5′-dichloro-o,o′-biphenol
  • Bay 9015A
  • 5,5′-Dichloro-2,2′-dihydroxy-3,3′-dinitrobiphenyl
  • Bilevon
  • Niclofolan
  • Bilevon M
  • Menichlopholan
  • 2,2′-Dihydroxy-3,3′-dinitro-5,5′-dichlorodiphenyl
  • 2,2′-Dihydroxy-3,3′-dinitro-5,5′-dichlorobiphenyl
  • Menichlofolan
  • 4,4′-Dichloro-6,6′-dinitro-o,o′-biphenol
  • Bayer 9015
  • ME 3625
  • BAY 9015
  • 5,5′-Dichloro-3,3′-dinitro-2,2′-biphenyldiol
  • Dertil
  • Bilevon R

Work with 5,5′-Dichloro-3,3′-dinitro[1,1′-biphenyl]-2,2′-diol

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

2,4-Dichloro-6-nitrophenol609-89-273 % similar 2-Amino-4-chloro-6-nitrophenol6358-08-369 % similar 2-Hydroxy-5-chloro-3-nitroacetophenone84942-40-560 % similar 4-Chloro-2-nitrophenol89-64-556 % similar 2-Chloro-4,6-dinitrophenol946-31-656 % similar Styphnic acid82-71-355 % similar Picric acid88-89-155 % similar 4-Chloro-1,2-dinitrobenzene610-40-253 % similar

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

Elsewhere

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