Basic information
- CAS
134998-75-7- Standard SMILES
O=[N+]([O-])c1c2ccccc2cc2ccc3c(c12)CCCC3- InChIKey
MSEPDSUCZXLZAV-UHFFFAOYSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Names & identifiers
- Preferred name
- 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene
- IUPAC
- 12-nitro-1,2,3,4-tetrahydrobenzo[a]anthracene
Names & synonyms
12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene134998-75-7DTXSID8015918612-Nitro-1,2,3,4-tetrahydrotetraphene
Database identifiers
- CAS
134998-75-7- PubChem CID
- 178229
- DTXSID
DTXSID80159186
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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