7-Nitrodibenz(a,h)anthracene
Basic information
- CAS
63041-91-8- Standard SMILES
O=[N+]([O-])c1c2ccc3ccccc3c2cc2ccc3ccccc3c12- InChIKey
ZZMDJBHMGFRFEK-UHFFFAOYSA-N- Molecular formula
- C22H13NO2
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.09462866
Overview
structure in first source
Names & identifiers
- Preferred name
- 7-Nitrodibenz(a,h)anthracene
- IUPAC
- 14-nitronaphtho[1,2-b]phenanthrene
- English name
- 7-Nitrobenz[a,h]anthracene
- Molecular formula
- C22H13NO2
- Molecular weight
- 323.34
Names & synonyms
7-nitrodibenz(a,h)anthracene7-Nitrodibenz[a,h]anthraceneRefChem:9143937-NDB(a,h)A63041-91-8Dibenz(a,h)anthracene, 7-nitro-14-nitronaphtho[1,2-b]phenanthrene7-Nitrobenz[A,H]anthraceneDibenz[a,h]anthracene, 7-nitro-CCRIS 84247-nitrobenzo[k]tetrapheneDTXSID9075084
Show more names
7-NITRODIBENZ[A,B]ANTHRACENE7-NITRODIBENZO[A,H]ANTHRACENEAKOS024328933
Database identifiers
- CAS
63041-91-8- PubChem CID
- 148989
- DTXSID
DTXSID9075084- Nikkaji
- J764.626G
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- EPA Substance Registry System
- 7 · Dibenz[a,h]anthracene, 7-nitro- (63041-91-8)
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Related reactions
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Compound notes
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