AG001AI0

139215-80-8 | Benzene, 5-[(trans,trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-1,2,3-trifluoro-

AG001AI0

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CAS Number	139215-80-8
Catalog Number	AG001AI0(AGN-PC-0PO1IK)
Chemical Name	Benzene, 5-[(trans,trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-1,2,3-trifluoro-
EC Number	604-115-2
IUPAC Name	5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene
InChI	InChI=1S/C20H27F3/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(21)20(23)19(22)12-17/h11-16H,2-10H2,1H3
InChI Key	DXFHMMVZUZLQFU-UHFFFAOYSA-N
MDL Number	MFCD23115439
Molecular Formula	C20H27F3
Molecular Weight	324.4236
SMILES	CC[C@H]1CC[C@@H](CC1)[C@H]2CC[C@@H](CC2)C3=CC(=C(C(=C3)F)F)F
Synonyms	139215-80-8, (1R,4R)-4-ethyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexane), BENZENE, 5-[(TRANS,TRANS)-4'-ETHYL[1,1'-BICYCLOHEXYL]-4-YL]-1,2,3-TRIFLUORO-, 4-ethyl-4'-(3,4,5-trifluorophenyl)bi(cyclohexane), TRANS-4-ETHYL-4'-(3,4,5-TRIFLUOROPHENYL)BICYCLOHEXYL, 5-(4-(4-ETHYLCYCLOHEXYL)CYCLOHEXYL)-1,2,3-TRIFLUOROBENZENE, 5-[4-(4-ETHYLCYCLOHEXYL)CYCLOHEXYL]-1,2,3-TRIFLUOROBENZENE, ACMC-20myma, SCHEMBL3437354, SCHEMBL8015649, SCHEMBL8015651, SCHEMBL8015656, SCHEMBL8736434, SCHEMBL14274421, CTK0H0454, DTXSID90566544, KS-00000P0F, MFCD12911825, ZINC66351948, AKOS015917872, AKOS016003843, AKOS025404469, AKOS032953582, ZINC100003414, ZINC245189230, ZINC253532891, RP17660, XF10026, AK-50681, DS-15513, AJ-116622, AX8216639, E1156, FT-0688779, I14-9037, J-500352, 4-ethyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexyl), Trans,trans-4-(4'-ethylbicyclohexyl-1,2,3-trifluorobenzene, trans,trans-4'-Ethyl-4-(3,4,5-trifluorophenyl)bicyclohexyl, 4alpha-Ethyl-4'beta-(3,4,5-trifluorophenyl)-1,1'-bicyclohexane, 4beta-Ethyl-4'alpha-(3,4,5-trifluorophenyl)-1alpha,1'beta-bicyclohexane, 3,4,5-Trifluoro-1-[trans-4'-( trans-4''-ethylcyclohexyl) -cyclohexyl]benzene, 3,4,5-TRIFLUORO-1-[TRANS-4'-(TRANS-4'-ETHYLCYCLOHEXYL)-CYCLOHEXYL]BENZENE, 3,4,5-TRIFLUORO-1-[TRANS-4-(TRANS-4-ETHYLCYCLOHEXYL)CYCLOHEXYL]BENZENE, 5-[(TRANS,TRANS)-4'-ETHYL[1,1'-BICYCLOHEXYL]-4-YL]-1,2,3-TRIFLUORO-BENZENE, 1~4~-Ethyl-3~3~,3~4~,3~5~-trifluoro-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, DXFHMMVZUZLQFU-UHFFFAOYSA-N, trans,trans-4'-Ethyl-4-(3,4,5-trifluorophenyl)bicyclohexyl, 98% - 25G 25g,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	324.206g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	324.431g/mol
Monoisotopic Mass	324.206g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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