Basic information
- CAS
58321-79-2- Standard SMILES
C/C(=C/c1ccccc1)[N+](=O)[O-]- InChIKey
WGSVFWFSJDAYBM-FPLPWBNLSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- (Z)-(2-Nitroprop-1-enyl)benzene
- IUPAC
- [(Z)-2-nitroprop-1-enyl]benzene
- English name
- (Z)-2-Nitro-1-phenyl-1-propene
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
F7QR2EB4RP58321-79-2(Z)-(2-Nitroprop-1-enyl)benzeneRefChem:1051245[(Z)-2-nitroprop-1-enyl]benzene2-NITRO-1-PHENYLPROPENEUNII-F7QR2EB4RP((1Z)-2-Nitro-1-propen-1-yl)benzeneBenzene, ((1Z)-2-nitro-1-propen-1-yl)-MFCD00014720(2-nitro-propenyl)-benzene(Z)-2-nitro-1-phenyl-1-propene
Show more names
(Z)-1-Phenyl-2-nitro-1-propene[(Z)-2-Nitro-1-propenyl]benzeneBenzene, [(1Z)-2-nitro-1-propen-1-yl]-
[(1Z)-2-Nitroprop-1-en-1-yl]benzeneSCHEMBL1749791CHEMBL4294441SCHEMBL11285723Z-2-nitro-3-phenyl-2-propeneWGSVFWFSJDAYBM-FPLPWBNLSA-NDTXSID301336392AKOS015891377
Database identifiers
- CAS
58321-79-2- PubChem CID
- 699484
- DTXSID
DTXSID301336392- ChEMBL
CHEMBL4294441- UNII
- F7QR2EB4RP
- Nikkaji
- J53.064F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 50 · 50-51 °C(Solv: ethanol (64-17-5))
- Boiling point
- 263 · 263.0±9.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- FDA UNII
- 7 QR2EB4RP · F7QR2EB4RP
Related reactions
1 records
Compound notes
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