Chrysene, 2-nitro-
Basic information
- CAS
3989-90-0- Standard SMILES
O=[N+]([O-])c1ccc2c(ccc3c4ccccc4ccc23)c1- InChIKey
HYNWUPUJMIJKMW-UHFFFAOYSA-N- Molecular formula
- C18H11NO2
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.07897859
Names & identifiers
- Preferred name
- Chrysene, 2-nitro-
- IUPAC
- 2-nitrochrysene
- English name
- 2-Nitrochrysene
- Molecular formula
- C18H11NO2
- Molecular weight
- 273.29
Names & synonyms
2-NITROCHRYSENEChrysene, 2-nitro-CCRIS 4949BRN 5438027DTXSID50192924RefChem:334120DTXCID901154153989-90-0Nitrochrysene, 2-CHEMBL166617LVX848M4M9SCHEMBL5575186
Database identifiers
- CAS
3989-90-0- PubChem CID
- 62535
- DTXSID
DTXSID50192924- ChEMBL
CHEMBL166617- UNII
- LVX848M4M9
- Nikkaji
- J501.128K
Properties
Computed structural properties
- XLogP
- 5.8
- 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
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Related reactions
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Compound notes
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