5-Nitro-6-phenylbicyclo[2.2.1]hept-2-ene
Basic information
- CAS
92028-79-0- Standard SMILES
O=[N+]([O-])C1C2C=CC(C2)C1c1ccccc1- InChIKey
ABLIRAIUNBLRPK-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- 5-Nitro-6-phenylbicyclo[2.2.1]hept-2-ene
- IUPAC
- 5-nitro-6-phenylbicyclo[2.2.1]hept-2-ene
Names & synonyms
5-nitro-6-phenylbicyclo[2.2.1]hept-2-ene92028-79-0NSC149831starbld0019175SCHEMBL4385292DTXSID90302247NSC-149831trans-5-nitro-6-phenylbicyclo[2.2.1]hept-2-ene
Database identifiers
- CAS
92028-79-0- PubChem CID
- 288569
- DTXSID
DTXSID90302247
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
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Compound notes
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