Basic information
- CAS
80191-44-2- Standard SMILES
Cc1cc([N+](=O)[O-])cc2c1ccc1ccccc12- InChIKey
LRGGPMFAYJEQIK-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Names & identifiers
- Preferred name
- 1-Methyl-3-nitrophenanthrene
- IUPAC
- 1-methyl-3-nitrophenanthrene
Names & synonyms
80191-44-21-methyl-3-nitrophenanthrenePhenanthrene, methylnitro-DTXSID301001092
Database identifiers
- CAS
80191-44-2- PubChem CID
- 54544
- DTXSID
DTXSID301001092
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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