Basic information
- CAS
80182-33-8- Standard SMILES
Cc1cc([N+](=O)[O-])cc2c1ccc1c3ccccc3ccc21- InChIKey
ZIAOMROBSCTTJG-UHFFFAOYSA-N- Molecular formula
- C19H13NO2
- Average molar mass
- 287.3 g/mol
- Monoisotopic mass
- 287.09462866
Names & identifiers
- Preferred name
- Methylnitrochrysene
- IUPAC
- 1-methyl-3-nitrochrysene
- English name
- 1-methyl-3-nitro-chrysene
- Molecular formula
- C19H13NO2
- Molecular weight
- 0
Names & synonyms
METHYLNITROCHRYSENE80182-33-81-methyl-3-nitrochryseneDTXSID502301381-methyl-3-nitro-chrysene
Database identifiers
- CAS
80182-33-8- PubChem CID
- 54540
- DTXSID
DTXSID50230138
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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