AG0013HM

137529-41-0 | 1,1'-Biphenyl, 3,4,5-trifluoro-4'-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-

AG0013HM

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CAS Number	137529-41-0
Catalog Number	AG0013HM(AGN-PC-0PLH5R)
Chemical Name	1,1'-Biphenyl, 3,4,5-trifluoro-4'-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
IUPAC Name	1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
InChI	InChI=1S/C27H33F3/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-25(28)27(30)26(29)17-24/h12-21H,2-11H2,1H3
InChI Key	LQRASBADJFXRBP-UHFFFAOYSA-N
MDL Number	MFCD13188632
Molecular Formula	C27H33F3
Molecular Weight	414.5461
SMILES	FC1=C(F)C(F)=CC(C2=CC=C([C@H]3CC[C@H]([C@H]4CC[C@H](CCC)CC4)CC3)C=C2)=C1
Synonyms	137529-41-0, 3,4,5-Trifluoro-4'-((trans,trans)-4'-propyl-[1,1'-bi(cyclohexan)]-4-yl)-1,1'-biphenyl, trans,trans-4'-(4'-Propylbicyclohexyl-4-yl)-3,4,5-trifluorobiphenyl, trans,trans-3,4,5-Trifluoro-4'-(4'-propylbicyclohexyl-4-yl)biphenyl, 1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene, SCHEMBL8078924, SCHEMBL8527858, SCHEMBL8527861, SCHEMBL8527865, DTXSID40625251, MFCD13188632, trans,trans-4'-(4'-Propyl-bicyclohexyl-4-yl)-3,4,5-trifluorobiphenyl, AKOS015917809, ZINC253497115, ZINC261507739, 1,1'-Biphenyl, 3,4,5-trifluoro-4'-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-, AK325984, AN-31863, DS-11811, AJ-113697, CS-0061433, FT-0703499, 529T410, I14-9032, 4'-(4'-Propyl-1,1'-bicyclohexane-4-yl)-3,4,5-trifluorobiphenyl, 4-propyl-4'-(3',4',5'-trifluorobiphenyl-4-yl)bi(cyclohexane), trans,trans-3,4,5-Trifluoro-4'-(4'-propyl-bicyclohexyl-4-yl)-biphenyl, 3,4,5-Trifluoro-4'-[(1alpha)-4beta-[(1alpha)-4beta-propylcyclohexyl]cyclohexyl]biphenyl, 3,4,5-Trifluoro-4'-[(tranS,tranS)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-1,1'-biphenyl, 3,4,5-Trifluoro-4-((trans,trans)-4-propyl-[1,1-bi(cyclohexan)]-4-yl)-1,1-biphenyl, 4~3~,4~4~,4~5~-Trifluoro-1~4~-propyl-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~:3~4~,4~1~-quaterphenyl, LQRASBADJFXRBP-UHFFFAOYSA-N, T3319,

Complexity	486
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	414.253g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	414.556g/mol
Monoisotopic Mass	414.253g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.2

GHS Hazard and Precautionary Statements

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

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