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Molecule record

1-nitro-2-phenylbenzene

C12H9NO2

199.21 g/mol

Loading structure

Molecular properties

Formula
C12H9NO2
Molar mass
199.21 g·mol−1
Exact mass
199.0633 Da
9
PubChem CID
6829

Functional groups

Aromatic ring
Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1,1'Biphenyl, 2nitro
  • 2-Nitro-1,1'-biphenyl
  • 2-Nitrobiphenyl
  • 2-Nitrodiphenyl
  • 2Nitro1,1'biphenyl
  • 2Nitrodiphenyl
  • 2Phenylnitrobenzene
  • 8R1N47E4DT
Show all 24 synonyms
  • AI3-02563
  • Biphenyl, 2nitro
  • CCRIS 962
  • CP 368
  • DTXCID505746
  • DTXSID9025746
  • EINECS 201-646-8
  • InChI=1/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9
  • NSC 5532
  • O-NITROBIPHENYL
  • O-NITROBIPHENYL [MI]
  • RefChem:88717
  • UNII-8R1N47E4DT
  • YOJKKXRJMXIKSR-UHFFFAOYSA-N
  • oNitrobiphenyl
  • oNitrodiphenyl

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1ccccc1-c1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
YOJKKXRJMXIKSR-UHFFFAOYSA-N
PubChem CID
6829

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-nitro-2-phenylbenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-nitro-2-phenylbenzene; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record