12-Nitro-6-chrysenol
Basic information
- CAS
120014-79-1- Standard SMILES
O=[N+]([O-])c1cc2c3ccccc3c(O)cc2c2ccccc12- InChIKey
OYJWIBIGRVQKNB-UHFFFAOYSA-N- Molecular formula
- C18H11NO3
- Average molar mass
- 289.3 g/mol
- Monoisotopic mass
- 289.07389321
Names & identifiers
- Preferred name
- 12-Nitro-6-chrysenol
- IUPAC
- 12-nitrochrysen-6-ol
Names & synonyms
6-Chrysenol, 12-nitro-120014-79-112-nitrochrysen-6-ol12-Nitro-6-chrysenolDTXSID00152654
Database identifiers
- CAS
120014-79-1- PubChem CID
- 147454
- DTXSID
DTXSID00152654
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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