Molecular properties
- Formula
- C9H11NO2
- Molar mass
- 165.19 g·mol−1
- Exact mass
- 165.0790 Da
- 5
- PubChem CID
- 81013
Molecule record
1-nitro-2-propan-2-ylbenzene
C9H11NO2
165.19 g/mol
Loading structure
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-(1-METHYLETHYL)-2-NITROBENZENE
- 1-Isopropyl-2-nitro-benzene
- 1-Isopropyl-2-nitrobenzene
- 2-ISOPROPYL-1-NITROBENZENE
- 2-Isopropylnitrobenzene
- 2-Nitrocumene
- 2-Nitroisopropylbenzene
- 229-415-7
Show all 24 synonyms
- 38NGV5BZ8W
- 6526-72-3
- BSMKYQUHXQAVKG-UHFFFAOYSA-N
- Benzene, 1-(1-methylethyl)-2-nitro-
- Cumene, o-nitro-
- D73277
- DTXCID10138065
- DTXSID80215574
- EINECS 229-415-7
- F0001-1754
- MFCD00039739
- RefChem:167279
- nitrocumene
- o-Isopropylnitrobenzene
- o-Nitrocumene
- o-Nitroisopropylbenzene
Structure identifiers
- Canonical SMILES
- CC(C)c1ccccc1[N+](=O)[O-]
- Isomeric SMILES
- CC(C)C1=CC=CC=C1[N+](=O)[O-]
- InChI
- InChI=1S/C9H11NO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3
- InChIKey
- BSMKYQUHXQAVKG-UHFFFAOYSA-N
- PubChem CID
- 81013
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1-nitro-2-propan-2-ylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-nitro-2-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.