AG000ZRY

131819-24-4 | Benzene, 1,2,3-trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]-

AG000ZRY

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CAS Number	131819-24-4
Catalog Number	AG000ZRY(AGN-PC-0PJKOR)
Chemical Name	Benzene, 1,2,3-trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]-
IUPAC Name	1,2,3-trifluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
InChI	InChI=1S/C23H33F3/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h14-19H,2-13H2,1H3
InChI Key	PGBOJQDLNPQVCK-UHFFFAOYSA-N
MDL Number	MFCD12828865
Molecular Formula	C23H33F3
Molecular Weight	366.5033
SMILES	CCC[C@@H]1CC[C@H](CC1)CC[C@@H]1CC[C@H](CC1)c1cc(F)c(c(c1)F)F
Synonyms	131819-24-4, 1,2,3-TRIFLUORO-5-[TRANS-4-[2-(TRANS-4-PROPYLCYCLOHEXYL)ETHYL]CYCLOHEXYL]BENZENE, 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propyl-cyclohexyl)ethyl]cyclohexyl]benzene, BENZENE, 1,2,3-TRIFLUORO-5-[TRANS-4-[2-(TRANS-4-PROPYLCYCLOHEXYL)ETHYL]CYCLOHEXYL]-, 1,2,3-trifluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene, 1,2,3-Trifluoro-5-((1S,4R)-4-(2-((1S,4S)-4-propylcyclohexyl)ethyl)cyclohexyl)benzene, 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]-benzene, 1,2,3-trifluoro-5-{4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl}benzene, ACMC-20aa5z, SCHEMBL7516369, SCHEMBL7568221, SCHEMBL8452536, CTK0H0457, DTXSID90569636, PGBOJQDLNPQVCK-VVPTUSLJSA-N, C23H33F3, KS-00000P0C, 5896AA, ANW-64101, MFCD12828865, ZINC59073135, AKOS015918109, ZINC100035615, ZINC245219493, VZ20360, XF10037, AK-50666, AN-32255, DS-15503, AJ-113238, TC-152846, FT-0688784, ST24036656, 819T244, I14-9022, 5-[4-[2-(4-Propylcyclohexyl)ethyl]cyclohexyl]-1,2,3-trifluorobenzene, 1-(trans-4-propylcyclohexyl)-2-[trans-4-(3,4,5-trifluorophenyl)cyclohexyl]ethane, 1,2,3-Trifluoro-5-[(1alpha)-4beta-[2-[(1alpha)-4beta-propylcyclohexyl]ethyl]cyclohexyl]benzene, PGBOJQDLNPQVCK-UHFFFAOYSA-N,

Complexity	384
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	366.253g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	366.512g/mol
Monoisotopic Mass	366.253g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.6

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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