Basic information
- CAS
107673-67-6- Standard SMILES
O=[N+]([O-])C1=Cc2cccc3c2c1cc1ccc2ccccc2c13- InChIKey
VUBXXSFMOQMZGL-UHFFFAOYSA-N- Molecular formula
- C20H11NO2
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.07897859
Names & identifiers
- Preferred name
- 5-Nitrobenz(l)acephenanthrylene
- IUPAC
- 14-nitropentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene
Names & synonyms
5-Nitrobenz(l)acephenanthrylene107673-67-65-NITROBENZ[L]ACEPHENANTHRYLENECCRIS 21705-Nitrobenzo[l]acephenanthryleneDTXSID50148183
Database identifiers
- CAS
107673-67-6- PubChem CID
- 154013
- DTXSID
DTXSID50148183
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
- 23
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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