AG003UUQ

118164-51-5 | TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4''-PENTYLBICYCLOHEXYL

AG003UUQ

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CAS Number	118164-51-5
Catalog Number	AG003UUQ(AGN-PC-0PBJFC)
Chemical Name	TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4''-PENTYLBICYCLOHEXYL
IUPAC Name	1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
InChI	InChI=1S/C23H34F2/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21/h14-20H,2-13H2,1H3
InChI Key	YDVUSMRUBCJGAV-UHFFFAOYSA-N
MDL Number	MFCD13182310
Molecular Formula	C23H34F2
Molecular Weight	348.5129
SMILES	CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C3=CC=C(F)C(F)=C3)CC2)CC1
Synonyms	118164-51-5, trans,trans-4-(3,4-Difluorophenyl)-4'-pentyl-1,1'-bi(cyclohexane), trans,trans-4-(3,4-Difluorophenyl)-4'-pentylbicyclohexyl, YDVUSMRUBCJGAV-UHFFFAOYSA-N, 4-[TRANS-4-(TRANS-4-PENTYLCYCLOHEXYL)CYCLOHEXYL]-1,2-DIFLUOROBENZENE, MFCD13182310, Benzene, 1,2-difluoro-4-(4'-pentyl[1,1'-bicyclohexyl]-4-yl)-, 1,2-DIFLUORO-4-[(TRANS,TRANS)-4'-PENTYL[1,1'-BICYCLOHEXYL]-4-YL]BENZENE, 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene, TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4'-N-PENTYLBICYCLOHEXYL, AC1LBEXL, SCHEMBL548952, SCHEMBL548953, SCHEMBL548954, trans,trans-4-pentylbicyclohexyl-3,4-difluorobenzene, SCHEMBL2959381, SCHEMBL9348199, SCHEMBL12314615, CTK6D7196, DTXSID00342417, TL205, KS-00000H6O, 2971AA, TL-205, ZINC59796823, AKOS015999142, AKOS024462411, ZINC100003289, ZINC242723132, ZINC329066882, CS-W009815, RP17676, XF10020, AK-40153, AN-32986, DS-13324, SC-96005, AJ-113691, AX8154493, ST2407758, D4798, FT-0656297, 164D515, J-513353, trans,trans-4-(3,4-Difluorophenyl)-4'-n-pentylbicy, trans,trans-4-(3,4-Difluorophenyl)-4'-pentyl-bicyclohexyl, 4-(3,4-DIFLUOROPHENYL)-4'-PENTYL-1,1'-BI(CYCLOHEXANE), TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4''-PENTYLBICYCLOHEXYL, TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4-PENTYLBICYCLOHEXYL, 4beta-(3,4-Difluorophenyl)-4'beta-pentyl-1alpha,1'alpha-bi(cyclohexane), trans,trans-4-(3,4-Difluorophenyl)-4\'-pentyl-1,1\'-bi(cyclohexane), 1,2-Difluoro-4-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]-benzene, 1beta-(3,4-Difluorophenyl)-4beta-(4beta-pentylcyclohexane-1alpha-yl)cyclohexane, 4-[(TRANS,TRANS)-4'-PENTYL[1,1'-BICYCLOHEXYL]-4-YL]-1,2-DIFLUOROBENZENE, 3~3~,3~4~-Difluoro-1~4~-pentyl-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl, C23H34F2, CID581521, trans,trans-4-(3,4-Difluorophenyl)-4'-n-pentylbicyclohexyl, 97% 1g, trans,trans-4-(3,4-Difluorophenyl)-4'-pentylbicyclohexyl, 98% - 1G 1g,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	348.263g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	348.522g/mol
Monoisotopic Mass	348.263g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.5

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

Lot Number