Basic information
- CAS
128714-75-0- Standard SMILES
O=[N+]([O-])c1ccc2ccc3c([N+](=O)[O-])c4ccccc4c4ccc1c2c34- InChIKey
ZBUIFCQCAOFRJN-UHFFFAOYSA-N- Molecular formula
- C20H10N2O4
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.0640568
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,6-Dinitrobenzo(a)pyrene
- IUPAC
- 1,6-dinitrobenzo[a]pyrene
- English name
- 1,6-Dinitrobenzo(a)pyrene
- Molecular formula
- C20H10N2O4
- Molecular weight
- 342.3
Names & synonyms
1,6-Dinitrobenzo(a)pyrene1,6-dinitrobenzo[a]pyrene128714-75-0Benzo(a)pyrene, 1,6-dinitro-A82AB37QSX1,6-DNBPJ352.851KDTXSID50155973RefChem:73607DTXCID90784641,6-Dinitrobenzo[pqr]tetrapheneCCRIS 4101
Show more names
1,6-DINITROBENZO(PQR)TETRAPHENEUNII-A82AB37QSXBRN 4330649Q27273751
Database identifiers
- CAS
128714-75-0- PubChem CID
- 86386
- DTXSID
DTXSID50155973- UNII
- A82AB37QSX
- Nikkaji
- J352.851K
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 600
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 82 AB37QSX · A82AB37QSX
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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