Basic information
- CAS
61735-78-2- Standard SMILES
Fc1ccc2c(c1)cc1ccc3cc4ccc(F)cc4c4ccc2c1c34- InChIKey
VWZJCJJPDPIZMY-UHFFFAOYSA-N- Molecular formula
- C24H12F2
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 338.09070671
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,10-Difluorobenzo(a,i)pyrene
- IUPAC
- 4,16-difluorohexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1,3,5,7,9(23),10,12,14(19),15,17,20(24),21-dodecaene
- English name
- 2,10-difluorobenzo(a,i)pyrene
- Molecular formula
- C24H12F2
- Molecular weight
- 338.35
Names & synonyms
2,10-Difluorobenzo(a,i)pyrene61735-78-22,10-Difluorobenzo(rst)pentapheneSEZ1ND62IWBENZO(rst)PENTAPHENE, 2,10-DIFLUORO-DTXSID302107362,10-Difluorobenzo[rst]pentapheneRefChem:80501DTXCID601332272,10-Difluorodibenzo(a,i)pyreneBRN 2006947UNII-SEZ1ND62IW
Show more names
Benzo[rst]pentaphene, 2,10-difluoro-
4,16-difluorohexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1,3,5,7,9(23),10,12,14(19),15,17,20(24),21-dodecaeneDIFLUORODIBENZO(A,I)PYRENE, 2,10-
Database identifiers
- CAS
61735-78-2- PubChem CID
- 43771
- DTXSID
DTXSID30210736- UNII
- SEZ1ND62IW
- Nikkaji
- J132.033E
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 314.59 °C · 314.59°C (rough estimate)
- Density
- 1.1166 · 1.1166 (rough estimate)
- refractive index
- 1.536 · 1.5360 (estimate)
- FDA UNII
- 1 ND62IW · SEZ1ND62IW
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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