Basic information
- CAS
62811-39-6- Standard SMILES
C=C(Cc1ccccc1)[N+](=O)[O-]- InChIKey
IOLFAUFETSIJDP-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- (2-Nitro-2-propenyl)benzene
- IUPAC
- 2-nitroprop-2-enylbenzene
- English name
- 2-Nitroprop-1-enylbenzene
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
62811-39-62-nitroprop-2-enylbenzene(2-Nitro-2-propenyl)benzene2-nitroprop-1-enylbenzene(2-nitroprop-2-en-1-yl)benzene(2-Nitroallyl)-benzene2-nitroallylbenzeneSCHEMBL3890227(2-Nitro-2-propenyl)benzene #DTXSID90341792MCA81139MFCD03844715
Show more names
Benzene, (2-nitro-2-propen-1-yl)-
EN300-1608775
Database identifiers
- CAS
62811-39-6- PubChem CID
- 575754
- DTXSID
DTXSID90341792- Nikkaji
- J2.199.470G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 80 °C · 80 °C(Press: 0.2 Torr)
- Density
- 1.114 · 1.114±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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