chempirical

4-Nitro-1,1′-biphenyl

C12H9NO2CAS 92-93-3199.21 g/mol

Open in Covalent MOL file
ON+O−
Nitro

Properties

Molecular formula
C12H9NO2
Molar mass
199.21 g/mol
Exact mass
199.0633 Da
Melting point
114 °C
Boiling point
340 °C
logP
3.26Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
92-93-3
SMILES
O=[N+]([O-])c1ccc(-c2ccccc2)cc1
InChIKey
BAJQRLZAPXASRD-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

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Names and synonyms

12 names
  • 1,1′-Biphenyl, 4-nitro-
  • Biphenyl, 4-nitro-
  • 4-Nitrobiphenyl
  • Ba 2794
  • p-Nitrobiphenyl
  • p-Nitrodiphenyl
  • 4-Nitrodiphenyl
  • 1-Nitro-4-phenylbenzene
  • p-Phenylnitrobenzene
  • 4-Phenylnitrobenzene
  • NSC 1324
  • 4-(4-Nitrophenyl)benzene

Work with 4-Nitro-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4′-Dinitro-1,1′-biphenyl1528-74-182 % similar Nitrobenzene98-95-374 % similar 1,4-Dinitrobenzene100-25-468 % similar 4-Iodo-4′-nitro-1,1′-biphenyl29170-08-964 % similar 4′-Nitro[1,1′-biphenyl]-4-ol3916-44-764 % similar 1-Nitro-4-phenoxybenzene620-88-262 % similar 4-Nitrodiphenylamine836-30-662 % similar 4-Nitrophenyl phenyl sulfide952-97-662 % similar

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

Same formula

3-Nitrobiphenyl2113-58-8 2-Phenyl-3-pyridinecarboxylic acid33421-39-5 Phenyl 3-pyridinecarboxylate3468-53-9 4-(4-Pyridyl)benzoic acid4385-76-6 Dictamnine484-29-7 Indophenol500-85-6 5-Nitroacenaphthene602-87-9 2-Nitrobiphenyl86-00-0

Elsewhere

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