Basic information
- CAS
102859-52-9- Standard SMILES
O=[N+]([O-])C1=Cc2ccc3ccc4cccc5cc1c2c3c45- InChIKey
SQAFYTHBQZQFLZ-UHFFFAOYSA-N- Molecular formula
- C18H9NO2
- Average molar mass
- 271.3 g/mol
- Monoisotopic mass
- 271.06332853
Names & identifiers
- Preferred name
- Cyclopenta(cd)pyrene, 4-nitro-
- IUPAC
- 2-nitropentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene
Names & synonyms
Cyclopenta(cd)pyrene, 4-nitro-CCRIS 21654-Nitrocyclopenta(cd)pyrene102859-52-94-Nitrocyclopenta[cd]pyrene4-Nitrocyclopenta(c,d)pyreneDTXSID80145549Cyclopenta[cd]pyrene, 4-nitro-4-NITROCYCLOPENTA[C,D]PYRENERefChem:335853DTXCID8068040NIOSH/GY5864000
Show more names
GY58640000D9QX75C3LLCHEMBL354921
Database identifiers
- CAS
102859-52-9- PubChem CID
- 149183
- DTXSID
DTXSID80145549- ChEMBL
CHEMBL354921- UNII
- D9QX75C3LL
Properties
Computed structural properties
- XLogP
- 5.1
- 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
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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