chempirical

2-Nitrodiphenyl ether

C12H9NO3CAS 2216-12-8215.21 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
Density
1.2539 g/mL (at 21.5 °C)
Melting point
below −20 °C
Boiling point
195–197 °C
logP
3.39Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
2216-12-8
SMILES
O=[N+]([O-])c1ccccc1Oc1ccccc1
InChIKey
VNHGETRQQSYUGZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H

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Names and synonyms

11 names
  • Benzene, 1-nitro-2-phenoxy-
  • Ether, o-nitrophenyl phenyl
  • 1-Nitro-2-phenoxybenzene
  • Phenyl o-nitrophenyl ether
  • o-Nitrophenyl phenyl ether
  • 2-Nitrophenyl phenyl ether
  • 2-Phenoxynitrobenzene
  • o-Nitrodiphenyl ether
  • NSC 5419
  • NSC 642583
  • 2-Phenoxy-1-nitrobenzene

Work with 2-Nitrodiphenyl ether

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′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-961 % similar O-Nitroanisole91-23-661 % similar 1,2-Dinitrobenzene528-29-057 % similar Aclonifen74070-46-556 % similar 1-Ethoxy-2-nitrobenzene610-67-356 % similar 1-Nitro-2-(1,1,2,2-tetrafluoroethoxy)benzene28202-31-550 % similar 1-Methoxy-2-methyl-3-nitrobenzene4837-88-150 % similar 2-Nitrobiphenyl86-00-050 % 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-Phenoxynicotinic acid35620-71-4 4′-Nitro[1,1′-biphenyl]-4-ol3916-44-7 Naphthalamic acid5811-88-1 1-Nitro-4-phenoxybenzene620-88-2 4-Phenyl-2-nitrophenol885-82-5

Elsewhere

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