AG00IBP2

67284-56-4 | Cyclohexanecarboxylic acid, 4-ethyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester,trans-

AG00IBP2

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CAS Number	67284-56-4
Catalog Number	AG00IBP2(AGN-PC-0TNQOQ)
Chemical Name	Cyclohexanecarboxylic acid, 4-ethyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester,trans-
EC Number	266-631-0
IUPAC Name	[4-(4-cyanophenyl)phenyl] 4-ethylcyclohexane-1-carboxylate
InChI	InChI=1S/C22H23NO2/c1-2-16-3-9-20(10-4-16)22(24)25-21-13-11-19(12-14-21)18-7-5-17(15-23)6-8-18/h5-8,11-14,16,20H,2-4,9-10H2,1H3
InChI Key	OYZITXKNUGHHKV-UHFFFAOYSA-N
MDL Number	MFCD09751067
Molecular Formula	C22H23NO2
Molecular Weight	333.4235
SMILES	O=C([C@H]1CC[C@H](CC)CC1)OC2=CC=C(C3=CC=C(C#N)C=C3)C=C2
Synonyms	67284-56-4, trans-4'-Cyano-[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate, MFCD09751067, 4'-Cyanobiphenyl-4-yl trans-4-ethyl-cyclohexanecarboxylate, [4-(4-cyanophenyl)phenyl] 4-ethylcyclohexane-1-carboxylate, trans-4'-Cyano[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate, 4'-Cyano-[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate, 73328-99-1, EINECS 266-631-0, trans-4'-Cyano(1,1'-biphenyl)-4-yl 4-ethylcyclohexanecarboxylate, SCHEMBL91806, AC1L588V, SCHEMBL7941975, SCHEMBL7941978, 4-Cyano-4'-biphenyl 4-ethyl-trans-cyclohexanecarboxylate, KS-00000JM0, AKOS015918060, AKOS016014002, ZINC100003274, ZINC238809296, CS-W009848, DS-6471, Cyclohexanecarboxylic acid, 4-ethyl-, 4'-cyano(1,1'-biphenyl)-4-yl ester, trans-, AJ-54929, AK129865, AN-38332, AX8022122, FT-0730386, 284C564, A835691, 4-Cyanobiphenyl-4'-trans-ethylcyclohexylcarboxylate, I14-9111, W-104722, [4-(4-cyanophenyl)phenyl] 4-ethylcyclohexanecarboxylate, 4''-Cyanobiphenyl-4-yl trans-4-ethyl-cyclohexanecarboxylate, 4'-Cyano-4-biphenylyl trans-4-ethylcyclohexanecarboxylate, 4'-Cyano-4-biphenylyl trans-4-ethylcyclohexanecarboxylate, 97%, 4-Ethylcyclohexanecarboxylic acid 4'-cyanobiphenyl-4-yl ester, 4-ethyl-1-cyclohexanecarboxylic acid [4-(4-cyanophenyl)phenyl] ester, 4beta-Ethylcyclohexane-1alpha-carboxylic acid 4'-cyano-4-biphenylyl ester, Cyclohexanecarboxylic acid, 4-ethyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester,trans-, C22H23NO2, C22-H23-N-O2, CID171826, Cyclohexanecarboxylic acid, 4-ethyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester, trans-,

Complexity	470
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	333.173g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	333.431g/mol
Monoisotopic Mass	333.173g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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