Basic information
- CAS
80182-27-0- Standard SMILES
Cc1cc(C)c2ccc3ccc([N+](=O)[O-])cc3c2c1- InChIKey
XXFQGLGUSGDJFL-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- Dimethylnitrophenanthrene
- IUPAC
- 1,3-dimethyl-6-nitrophenanthrene
Names & synonyms
80182-27-0DIMETHYLNITROPHENANTHRENE1,3-dimethyl-6-nitrophenanthreneDTXSID301001080
Database identifiers
- CAS
80182-27-0- PubChem CID
- 54539
- DTXSID
DTXSID301001080
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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