chempirical

4′-Nitro[1,1′-biphenyl]-4-ol

C12H9NO3CAS 3916-44-7215.21 g/mol

Open in Covalent MOL file
ON+O−OH
NitroPhenol

Properties

Molecular formula
C12H9NO3
Molar mass
215.21 g/mol
Exact mass
215.0582 Da
Melting point
107 °C
logP
2.97Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
3916-44-7
SMILES
O=[N+]([O-])c1ccc(-c2ccc(O)cc2)cc1
InChIKey
ZNDJDQOECGBUNK-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO3/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,14H

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

Names and synonyms

10 names
  • [1,1′-Biphenyl]-4-ol, 4′-nitro-
  • 4-Biphenylol, 4′-nitro-
  • Phenol, p-(p-nitrophenyl)-
  • 4-Hydroxy-4′-nitrobiphenyl
  • 4′-Hydroxy-4-nitrobiphenyl
  • 4′-Nitro-4-biphenylol
  • NSC 95704
  • 4′-Nitro-1,1′-biphenyl-4-ol
  • 4-(4-Nitrophenyl)phenol
  • 4-Nitro-4′-hydroxybiphenyl

Work with 4′-Nitro[1,1′-biphenyl]-4-ol

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

4-Nitrophenol100-02-788 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-175 % similar 4-Nitro-1,1′-biphenyl92-93-364 % similar 4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol112559-81-664 % similar 1,4-Dinitrobenzene100-25-463 % similar 4-Iodo-4′-nitro-1,1′-biphenyl29170-08-960 % similar 1-Bromo-4-nitrobenzene586-78-755 % similar 3-Nitrophenol554-84-753 % similar

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

Same formula

N-(4-Acetylphenyl)maleimide1082-85-5 3-Cyano-7-ethoxycoumarin117620-77-6 2-Nitrodiphenyl ether2216-12-8 2-Phenoxynicotinic acid35620-71-4 Naphthalamic acid5811-88-1 1-Nitro-4-phenoxybenzene620-88-2 4-Phenyl-2-nitrophenol885-82-5

Elsewhere

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