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Molecule record

1-nitro-3-propan-2-ylbenzene

C9H11NO2

165.19 g/mol

Loading structure

Molecular properties

Formula
C9H11NO2
Molar mass
165.19 g·mol−1
Exact mass
165.0790 Da
5
PubChem CID
591251

Functional groups

Alkane / alkyl carbon
Aromatic ring
Nitro compound

Physical properties

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

Common names and synonyms

  • 1-(methylethyl)-3-nitrobenzene
  • 1-Isopropyl-3-nitrobenzene
  • 1-Isopropyl-3-nitrobenzene #
  • 196818-49-2
  • 2-(m-Nitrophenyl)propane
  • 3-Isopropylnitrobenzene
  • 3-Nitrocumene
  • 3-Nitroisopropylbenzene
Show all 24 synonyms
  • 6526-74-5
  • Benzene, 1-(1-methylethyl)-3-nitro-
  • Cumene, m-nitro-
  • MFCD00092917
  • SBB064869
  • SCHEMBL16956701
  • SCHEMBL254876
  • SCHEMBL27594560
  • SCHEMBL3729581
  • SCHEMBL4390254
  • SCHEMBL5047478
  • SCHEMBL7645485
  • SCHEMBL9047649
  • m-Isopropylnitrobenzene
  • m-Nitrocumene
  • m-nitroisopropylbenzene

Structure identifiers

Canonical SMILES
CC(C)c1cccc([N+](=O)[O-])c1
Isomeric SMILES
CC(C)C1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H11NO2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3
InChIKey
NRKSONABASVOGU-UHFFFAOYSA-N
PubChem CID
591251

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-3-propan-2-ylbenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-nitro-3-propan-2-ylbenzene; 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