Basic information
- CAS
134998-73-5- Standard SMILES
O=[N+]([O-])c1cc2c(c3cc4ccccc4cc13)CCCC2- InChIKey
XYDWPOYJHIFHQD-UHFFFAOYSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Names & identifiers
- Preferred name
- 6-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene
- IUPAC
- 6-nitro-1,2,3,4-tetrahydrobenzo[a]anthracene
Names & synonyms
6-nitro-1,2,3,4-tetrahydrobenz(a)anthracene134998-73-5DTXSID601591846-nitro-1,2,3,4-tetrahydrotetraphene
Database identifiers
- CAS
134998-73-5- PubChem CID
- 178227
- DTXSID
DTXSID60159184
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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