1-Nitrofluoranthene
Basic information
- CAS
13177-28-1- Standard SMILES
O=[N+]([O-])c1ccc2cccc3c2c1-c1ccccc1-3- InChIKey
AWYZHUPAWKZJSL-UHFFFAOYSA-N- Molecular formula
- C16H9NO2
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.06332853
Names & identifiers
- Preferred name
- 1-Nitrofluoranthene
- IUPAC
- 1-nitrofluoranthene
- English name
- 1-NITROFLUORANTHENE
- Molecular formula
- C16H9NO2
- Molecular weight
- 247.25
Names & synonyms
1-NitrofluorantheneFluoranthene, 1-nitro-CCRIS 5509BRN 256230987UV3TW2B9DTXSID001572004-05-00-02465 (Beilstein Handbook Reference)RefChem:76590DTXCID4079691AWYZHUPAWKZJSL-UHFFFAOYSA-N13177-28-1NITROFLUORANTHENE
Show more names
1-Nitrofluoranthene in toluene
UNII-87UV3TW2B9CHEMBL351184SCHEMBL4377088SCHEMBL31677721SCHEMBL32674558DB-216190
Database identifiers
- CAS
13177-28-1- PubChem CID
- 25759
- DTXSID
DTXSID00157200- ChEMBL
CHEMBL351184- UNII
- 87UV3TW2B9
- Nikkaji
- J541.828C
Properties
Computed structural properties
- XLogP
- 4.3
- 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
- Boiling point
- 455.7 · 455.7±14.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- FDA UNII
- 87 UV3TW2B9 · 87UV3TW2B9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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