6-Nitrosobenzo(a)pyrene
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Basic information
- CAS
118745-15-6- Standard SMILES
O=Nc1c2ccccc2c2ccc3cccc4ccc1c2c43- InChIKey
ICRDTHCKNWXAFG-UHFFFAOYSA-N- Molecular formula
- C20H11NO
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.08406397
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6-Nitrosobenzo(a)pyrene
- IUPAC
- 6-nitrosobenzo[a]pyrene
- English name
- 6-nitrosobenzo(a)pyrene
- Molecular formula
- C20H11NO
- Molecular weight
- 0
Names & synonyms
6-Nitrosobenzo(a)pyrene6-nitrosobenzo[a]pyrene118745-15-6Benzo(a)pyrene, 6-nitroso-1HJS99HR9SDTXSID70152227RefChem:1051006-NO-BaPDTXCID0074718CCRIS 2861UNII-1HJS99HR9S6-nitrosobenzo[pqr]tetraphene
Show more names
SCHEMBL7072802
Database identifiers
- CAS
118745-15-6- PubChem CID
- 119358
- DTXSID
DTXSID70152227- UNII
- 1HJS99HR9S
- Nikkaji
- J929.895I
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- FDA UNII
- 1 HJS99HR9S · 1HJS99HR9S
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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