chempirical

1-Nitro-4-phenoxybenzene

C12H9NO3CAS 620-88-2215.21 g/mol

Open in Covalent MOL file
ON+O−O
EtherNitro

Properties

Molecular formula
C12H9NO3
Molar mass
215.21 g/mol
Exact mass
215.0582 Da
Melting point
61 °C
Boiling point
320 °C
logP
3.39Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
620-88-2
SMILES
O=[N+]([O-])c1ccc(Oc2ccccc2)cc1
InChIKey
JDTMUJBWSGNMGR-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H

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Names and synonyms

12 names
  • Benzene, 1-nitro-4-phenoxy-
  • Ether, p-nitrophenyl phenyl
  • p-Nitrodiphenyl ether
  • p-Nitrophenyl phenyl ether
  • 4-Nitrodiphenyl ether
  • 4-Nitrophenyl phenyl ether
  • 4-Phenoxynitrobenzene
  • RH 0211
  • NSC 5420
  • NSC 57080
  • 4-Phenoxy-1-nitrobenzene
  • 1-Phenoxy-4-nitrobenzene

Reactions

Work with 1-Nitro-4-phenoxybenzene

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

1,1′-Oxybis[4-nitrobenzene]101-63-384 % similar 4-(4-Nitrophenoxy)benzenamine6149-33-368 % similar Nitrobenzene98-95-365 % similar 4-Nitro-1,1′-biphenyl92-93-362 % similar 1,4-Dinitrobenzene100-25-460 % similar 4-Nitroanisole100-17-458 % similar 4-Nitrodiphenylamine836-30-656 % similar 4-Nitrophenyl phenyl sulfide952-97-656 % 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 4′-Nitro[1,1′-biphenyl]-4-ol3916-44-7 Naphthalamic acid5811-88-1 4-Phenyl-2-nitrophenol885-82-5

Elsewhere

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