Basic information
- Standard SMILES
C=CCc1cccc([N+](=O)[O-])c1- InChIKey
PKRZOCHBKRVRNC-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
Names & identifiers
- Preferred name
- 1-Allyl-3-nitrobenzene
- IUPAC
- 1-nitro-3-prop-2-enylbenzene
Names & synonyms
1-Allyl-3-nitrobenzene1-nitro-3-(prop-2-en-1-yl)benzene123158-61-23-allylnitrobenzene3-(2-propenyl)nitrobenzene3-(2-propenyl)-nitrobenzeneSCHEMBL4521999SCHEMBL7077091PKRZOCHBKRVRNC-UHFFFAOYSA-NDB-311772EN300-698341
Database identifiers
- PubChem CID
- 10197841
- Nikkaji
- J1.683.776H
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 174
Related reactions
3 records
Compound notes
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