AG000ZRZ

131819-23-3 | Benzene, 1,2,3-trifluoro-5-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-

AG000ZRZ

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CAS Number	131819-23-3
Catalog Number	AG000ZRZ(AGN-PC-0PJKO9)
Chemical Name	Benzene, 1,2,3-trifluoro-5-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
EC Number	603-522-2
IUPAC Name	1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
InChI	InChI=1S/C21H29F3/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(22)21(24)20(23)13-18/h12-17H,2-11H2,1H3
InChI Key	FEWMLRARKGRCCE-UHFFFAOYSA-N
MDL Number	MFCD09838998
Molecular Formula	C21H29F3
Molecular Weight	338.4502
SMILES	FC1=C(F)C(F)=CC([C@H]2CC[C@H]([C@H]3CC[C@H](CCC)CC3)CC2)=C1
Synonyms	131819-23-3, trans,trans-4'-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl, TRANS-4-(3,4,5-TRIFLUOROPHENYL)-TRANS-4'-PROPYLBICYCLOHEXANE, MFCD09838998, BENZENE, 1,2,3-TRIFLUORO-5-[(TRANS,TRANS)-4'-PROPYL[1,1'-BICYCLOHEXYL]-4-YL]-, TRANS-4-N-PROPYL-4'-(3,4,5-TRIFLUOROPHENYL)BICYCLOHEXYL, 1,2,3-TRIFLUORO-5-[(TRANS,TRANS)-4'-N-PROPYLBICYCLOHEXYL-4-YL]BENZENE, SCHEMBL2884363, SCHEMBL3437358, SCHEMBL7569241, SCHEMBL8027582, SCHEMBL8737129, SCHEMBL14274422, 1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene, KS-00000T7I, AKOS015918108, AKOS030228240, ZINC100003097, ZINC245189234, ZINC253532902, CS-W011910, DS-9102, RL01492, XF10028, AK176137, FT-0747123, P2314, 056T625, I14-9021, J-525012, 4-(3,4,5-Trifluorophenyl)-4'-propyl-1,1'-bicyclohexane, trans,trans-1-(4'-Propylbicyclohexyl)-3,4,5-Trifluorobenzene, 1,2,3-Trifluoro-5-[(trans,trans)-4-propyl[1,1-bicyclohexyl]-4-yl]benzene, ALL-TRANS-4-PROPYL-4'-(3,4,5-TRIFLUOROPHENYL)BI(CYCLOHEXANE), 1,2,3-Trifluoro-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-benzene, 1,2,3-TRIFLUORO-5-[(TRANS,TRANS)-4'-PROPYL[1,1'-BICYCLOHEXYL]-4-YL]-BENZENE, 1beta-(1beta-Propylcyclohexane-4alpha-yl)-4alpha-(3,4,5-trifluorophenyl)cyclohexane, 3,4,5-TRIFLUORO-1-(TRANS-4-(TRANS-4-PROPYLCYCLOHEXYL)CYCLOHEXY)BENZENE, 3,4,5-TRIFLUORO-4-[(TRANS,TRANS)-4'-PROPYL[1,1'-BICYCLOHEXYL]-4-YL]-BENZENE, FEWMLRARKGRCCE-UHFFFAOYSA-N, CID11772113, 139056-62-5, 1,2,3-TRIFLUORO-4-[(TRANS,TRANS)-4'-PROPYL[1,1'-BICYCLOHEXYL]-4-YL]BENZENE, trans,trans-4'-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl, 98% - 25G 25g,

Complexity	357
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	338.222g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	338.458g/mol
Monoisotopic Mass	338.222g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.5

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

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