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10-Fluorobenzo(j)fluoranthene

HCID 125366
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
129286-37-9
Standard SMILES
Fc1ccc2c3c(ccc2c1)-c1cccc2cccc-3c12
InChIKey
BMSCBOZOHUSPGD-UHFFFAOYSA-N
Molecular formula
C20H11F
Average molar mass
270.3 g/mol
Monoisotopic mass
270.08447851

Overview

structure given in first source

Names & identifiers

Preferred name
10-Fluorobenzo(j)fluoranthene
IUPAC
6-fluoropentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
English name
10-fluorobenzo(j)fluoranthene
Molecular formula
C20H11F
Molecular weight
270.3

Names & synonyms

10-Fluorobenzo(j)fluoranthene129286-37-9Benzo(j)fluoranthene, 10-fluoro-10-Fluorobenzo[j]fluoranthene10F-B(j)F5UF9EHE499DTXSID80156135RefChem:77494DTXCID9078626CCRIS 6418UNII-5UF9EHE49910-fluoro-benzo[j]fluoranthene
Show more names
Benzo[j]fluoranthene, 3-fluoro-
3-FLUOROBENZO(J)FLUORANTHENEBENZO(J)FLUORANTHENE, 3-FLUORO-

Database identifiers

CAS
129286-37-9
PubChem CID
125366
DTXSID
DTXSID80156135
UNII
5UF9EHE499
Nikkaji
J339.512J

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
21
Formal charge
0
Complexity
405

Physicochemical properties

Boiling point
239.82 °C · 239.82°C (rough estimate)
Density
1.0872 · 1.0872 (rough estimate)
refractive index
1.73 · 1.7300 (estimate)
FDA UNII
5 UF9EHE499 · 5UF9EHE499

Related reactions

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Compound notes

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