AG002AD8

205806-88-8 | 1,1':4',1''-Terphenyl, 2,3'',4'',5''-tetrafluoro-4-propyl- (9CI)

AG002AD8

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CAS Number	205806-88-8
Catalog Number	AG002AD8(AGN-PC-0HI1XF)
Chemical Name	1,1':4',1''-Terphenyl, 2,3'',4'',5''-tetrafluoro-4-propyl- (9CI)
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
MDL Number	MFCD16038524
Molecular Formula	C21H16F4
Molecular Weight	344.3454
SMILES	FC1=C(F)C(F)=CC(C2=CC=C(C3=CC=C(CCC)C=C3F)C=C2)=C1
Synonyms	205806-88-8, 4-Propyl-2,3'',4'',5''-tetrafluoro-1,1':4',1''-Terphenyl, 2,3'',4'',5''-TETRAFLUORO-4-PROPYL-1,1':4',1''-TERPHENYL, 1,1':4',1''-TERPHENYL, 2,3'',4'',5''-TETRAFLUORO-4-PROPYL-, SCHEMBL8373768, C21H16F4, KS-00000P0M, 9361AF, MFCD16038524, ZINC95931434, AKOS022179378, AS04555, EBD3315010, RP17672, XF10040, AK-50711, DS-15524, AJ-137102, DB-027289, CS-0059859, FT-0688786, J-506849, 1,1:4,1-Terphenyl, 2,3,4,5-tetrafluoro-4-propyl-, 1,2,3-trifluoro-5-[4-(2-fluoro-4-propylphenyl)phenyl]benzene, 1,1':4',1''-Terphenyl, 2,3'',4'',5''-tetrafluoro-4-propyl- (9CI),

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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