AG0083S1

106349-49-9 | 4-(TRANS-4-PENTYLCYCLOHEXYL)-4''-(TRANS-4-PROPYLCYCLOHEXYL)-2-FLUOROBIPHENYL

AG0083S1

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CAS Number	106349-49-9
Catalog Number	AG0083S1(AGN-PC-0OVX6S)
Chemical Name	4-(TRANS-4-PENTYLCYCLOHEXYL)-4''-(TRANS-4-PROPYLCYCLOHEXYL)-2-FLUOROBIPHENYL
EC Number	441-140-6
IUPAC Name	2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
InChI	InChI=1S/C32H45F/c1-3-5-6-8-25-11-15-28(16-12-25)30-21-22-31(32(33)23-30)29-19-17-27(18-20-29)26-13-9-24(7-4-2)10-14-26/h17-26,28H,3-16H2,1-2H3
InChI Key	SYCNHFWYTQQMNG-UHFFFAOYSA-N
MDL Number	MFCD11053473
Molecular Formula	C32H45F
Molecular Weight	448.6981
SMILES	CCC[C@H]1CC[C@H](C2=CC=C(C3=CC=C([C@H]4CC[C@H](CCCCC)CC4)C=C3F)C=C2)CC1
Synonyms	106349-49-9, 2-Fluoro-4-((1s,4r)-4-pentylcyclohexyl)-4'-((1s,4r)-4-propylcyclohexyl)-1,1'-biphenyl, 4-(TRANS-4-PENTYLCYCLOHEXYL)-4'-(TRANS-4-PROPYLCYCLOHEXYL)-2-FLUOROBIPHENYL, 2-Fluoro-4-(trans-4-pentylcyclohexyl)-4'-(trans-4-propylcyclohexyl)biphenyl, 1,1'-Biphenyl,2-fluoro-4-(trans-4-pentylcyclohexyl)-4'-(trans-4-propylcyclohexyl)-, BAS 00162402, AC1MJL8N, ACMC-20ma41, SCHEMBL739937, SCHEMBL871810, SCHEMBL13433633, CTK4A4498, KS-00000NTB, DTXSID60389121, MFCD11053473, ZINC100003511, ZINC245189320, CS-W009654, AK-56203, DS-14964, AJ-113700, 2-Fluoro-4-(4-pentyl-cyclohexyl)-4'-(4-propyl-cyclohexyl)-biphenyl, 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene, 2-Fluoro-4-(4-pentylcyclohexyl)-4'-(4-propylcyclohexyl)-1,1'-biphenyl, 2-Fluoro-4-((1s,4r)-4-pentylcyclohexyl)-4-((1s,4r)-4-propylcyclohexyl)-1,1-biphenyl, 2-Fluoro-4-[(1alpha)-4beta-pentylcyclohexyl]-4'-[(1alpha)-4beta-propylcyclohexyl]biphenyl, 4-(trans-4-Pentylcyclohexyl)-2-fluoro-4'-(trans-4-propylcyclohexyl)biphenyl, trans,trans-2-Fluoro-4-(4-pentyl-cyclohexyl)-4\\'-(4-propyl-cyclohexyl)-biphenyl, 2~3~-Fluoro-1~4~-pentyl-4~4~-propyl-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,4~1~,4~2~,4~3~,4~4~,4~5~,4~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~:3~4~,4~1~-quaterphenyl, SYCNHFWYTQQMNG-UHFFFAOYSA-N, CID3093741, trans,trans-2-Fluoro-4-(4-pentyl-cyclohexyl)-4'-(4-propyl-cyclohexyl)-biphenyl, 2-Fluoro-4-(trans-4-pentylcyclohexyl)-4'-(trans-4-propylcyclohexyl)biphenyl, 97% 1g, trans,trans-2-Fluor-4-(4-pentylcyclohexyl)-4'-(4-propyl-cyclohexyl)-1,1'-biphenyl, 99896-05-6,

Complexity	519
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	448.351g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	448.71g/mol
Monoisotopic Mass	448.351g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	12.5

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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