AG00G2XV

82832-58-4 | TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4''-BUTYL-BICYCLOHEXYL

AG00G2XV

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CAS Number	82832-58-4
Catalog Number	AG00G2XV(AGN-PC-0UNBV6)
Chemical Name	TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4''-BUTYL-BICYCLOHEXYL
IUPAC Name	4-[4-(4-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
InChI	InChI=1S/C22H32F2/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h13-19H,2-12H2,1H3
InChI Key	NZXZINXFUSKTPH-UHFFFAOYSA-N
MDL Number	MFCD13188634
Molecular Formula	C22H32F2
Molecular Weight	334.4863
SMILES	FC1=CC=C([C@H]2CC[C@H]([C@H]3CC[C@H](CCCC)CC3)CC2)C=C1F
Synonyms	82832-58-4, trans,trans-4-Butyl-4'-(3,4-difluorophenyl)-1,1'-bi(cyclohexane), trans,trans-4-(3,4-Difluorophenyl)-4'-butyl-bicyclohexyl, trans,trans-4-(3,4-Difluorophenyl)-4''-butylbicyclohexyl, 4-[4-(4-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene, 4-Butyl-4'-(3,4-difluorophenyl)bi(cyclohexane), 4-[(TRANS,TRANS)-4'-BUTYL[1,1'-BICYCLOHEXYL]-4-YL]-1,2-DIFLUOROBENZENE, SCHEMBL7759047, SCHEMBL7759053, SCHEMBL7759060, SCHEMBL8997330, DTXSID10566662, MFCD13188634, ZINC55161235, AKOS015888904, AKOS015999138, AKOS024463399, ZINC100003579, ZINC242581626, ZINC329019941, ACN-052589, RP17666, XF10019, AK-48523, AN-36160, DS-14703, AJ-112617, AX8154491, CS-0061470, FT-0653830, ST24031924, 832T584, A840462, I01-1651, J-500475, trans,trans-4'-Butyl-4-(3,4-difluorophenyl)bicyclohexyl, trans,trans-4-Butyl-4-(3,4-difluorophenyl)bicyclohexyl, 4-[4-(4-butylcyclohexyl)cyclohexyl]-1,2-difluoro-benzene, trans,trans-4-n-Butyl-4'-(3,4-difluorophenyl)bicyclohexyl, 4-[4-(4-butylcyclohexyl)cyclohexyl]-1,2-bis(fluoranyl)benzene, trans-4-Butyl-4'-(3,4-difluorophenyl)-1,1'-bi(cyclohexane), (1S,4R)-4-butyl-4'-(3,4-difluorophenyl)-1,1'-bi(cyclohexane), TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4''-BUTYL-BICYCLOHEXYL, trans,trans-4-Butyl-4\'-(3,4-difluorophenyl)-1,1\'-bi(cyclohexane), 1beta-Butyl-4alpha-[4alpha-(3,4-difluorophenyl)cyclohexane-1beta-yl]cyclohexane, 1~4~-Butyl-3~3~,3~4~-difluoro-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, 1206677-80-6, NZXZINXFUSKTPH-UHFFFAOYSA-N, B4925, trans,trans-4-butylbicyclohexyl-3,4-difluorobenzene, trans,trans-4'-Butyl-4-(3,4-difluorophenyl)bicyclohexyl, 98% - 25G 25g,

Complexity	353
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	334.247g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	334.495g/mol
Monoisotopic Mass	334.247g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9

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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