Basic information
- CAS
63021-85-2- Standard SMILES
O=[N+]([O-])c1cccc2c1ccc1c3ccccc3ccc21- InChIKey
GRNATAWQTZDBFV-UHFFFAOYSA-N- Molecular formula
- C18H11NO2
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.07897859
Names & identifiers
- Preferred name
- 1-Nitrochrysene
- IUPAC
- 1-nitrochrysene
Names & synonyms
1-Nitrochrysene81316-77-0Chrysene, 1-nitro-CCRIS 6148DTXSID00978932RefChem:232451DTXCID30140623663021-85-2nitrochrysene3FZA8K5X6RSCHEMBL29789001
Database identifiers
- CAS
63021-85-2、81316-77-0- PubChem CID
- 44334
- DTXSID
DTXSID00978932- UNII
- 3FZA8K5X6R
- Nikkaji
- J532.678H
Properties
Computed structural properties
- XLogP
- 5.7
- 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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