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Home > Fluorides > 205806-88-8
205806-88-8 | 1,1':4',1''-Terphenyl, 2,3'',4'',5''-tetrafluoro-4-propyl- (9CI)
CAS No: 205806-88-8 Catalog No: AG002AD8 MDL No:MFCD16038524
Product Description
Catalog Number:
AG002AD8
Chemical Name:
1,1':4',1''-Terphenyl, 2,3'',4'',5''-tetrafluoro-4-propyl- (9CI)
CAS Number:
205806-88-8
Molecular Formula:
C21H16F4
Molecular Weight:
344.3454
MDL Number:
MFCD16038524
IUPAC Name:
1,2,3-trifluoro-5-[4-(2-fluoro-4-propylphenyl)phenyl]benzene
InChI:
InChI=1S/C21H16F4/c1-2-3-13-4-9-17(18(22)10-13)15-7-5-14(6-8-15)16-11-19(23)21(25)20(24)12-16/h4-12H,2-3H2,1H3
InChI Key:
XOGPWSCWTHCEKH-UHFFFAOYSA-N
SMILES:
CCCc1ccc(c(c1)F)c1ccc(cc1)c1cc(F)c(c(c1)F)F
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.353g/mol
Monoisotopic Mass:
344.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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