Basic information
- CAS
53483-17-3- Standard SMILES
C=CCc1ccc([N+](=O)[O-])cc1- InChIKey
UCHCAUUKJXSNAT-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- p-Allylnitrobenzene
- IUPAC
- 1-nitro-4-prop-2-enylbenzene
- English name
- Benzene, 1-nitro-4-(2-propen-1-yl)-
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
p-Allylnitrobenzene53483-17-3DTXSID90344324RefChem:367569DTXCID60295399UCHCAUUKJXSNAT-UHFFFAOYSA-N1-Allyl-4-nitrobenzene1-NITRO-4-(PROP-2-EN-1-YL)BENZENE4-allylnitrobenzene1-allyl-4-nitro-benzene1-Allyl-4-nitrobenzene #SCHEMBL1169849
Show more names
Benzene, 1-nitro-4-(2-propen-1-yl)-
SCHEMBL3936619DB-311777EN300-698401
Database identifiers
- CAS
53483-17-3- PubChem CID
- 595953
- DTXSID
DTXSID90344324- Nikkaji
- J1.406.877E
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 166
Physicochemical properties
- Melting point
- 100 °C · 100 °C
- Boiling point
- 89 · 89-94 °C(Press: 1 Torr)
- Density
- 1.112 g/cm3 · 1.112 g/cm3
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
4 records
Compound notes
Loading…