Basic information
- CAS
13177-32-7- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)-c1cccc3cccc-2c13- InChIKey
CTBYAQPHRFINGO-UHFFFAOYSA-N- Molecular formula
- C16H9NO2
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.06332853
Overview
structure given in first source
Names & identifiers
- Preferred name
- 8-Nitrofluoranthene
- IUPAC
- 8-nitrofluoranthene
- English name
- 8-nitrofluoranthene
- Molecular formula
- C16H9NO2
- Molecular weight
- 247.25
Names & synonyms
8-Nitrofluoranthene13177-32-7FLUORANTHENE, 8-NITRO-3ST5KW4A7UDTXSID20157202RefChem:914626DTXCID4079693CCRIS 5507BRN 2532952UNII-3ST5KW4A7UCHEMBL435452SCHEMBL16200935
Show more names
SCHEMBL30723434CTBYAQPHRFINGO-UHFFFAOYSA-N
Database identifiers
- CAS
13177-32-7- PubChem CID
- 25762
- DTXSID
DTXSID20157202- ChEMBL
CHEMBL435452- UNII
- 3ST5KW4A7U
- Nikkaji
- J264.613G
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- FDA UNII
- 3 ST5KW4A7U · 3ST5KW4A7U
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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