9-[(Z)-2-nitropent-1-enyl]phenanthrene
Basic information
- CAS
19893-69-7- Standard SMILES
CCC/C(=C/c1cc2ccccc2c2ccccc12)[N+](=O)[O-]- InChIKey
PLYWTECLVZAULC-SSZFMOIBSA-N- Molecular formula
- C19H17NO2
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.12592879
Names & identifiers
- Preferred name
- 9-[(Z)-2-nitropent-1-enyl]phenanthrene
- IUPAC
- 9-[(Z)-2-nitropent-1-enyl]phenanthrene
Names & synonyms
19893-69-79-[(Z)-2-nitropent-1-enyl]phenanthreneNSC107641DTXSID80418982NSC-1076419-[(1Z)-2-Nitropent-1-en-1-yl]phenanthrene
Database identifiers
- CAS
19893-69-7- PubChem CID
- 5380940
- DTXSID
DTXSID80418982
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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