AG005YTC

72928-55-3 | 4-Cyanophenyl 4-(trans-4-pentylcyclohexyl)benzoate

AG005YTC

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CAS Number	72928-55-3
Catalog Number	AG005YTC(AGN-PC-0U1Q8X)
Chemical Name	4-Cyanophenyl 4-(trans-4-pentylcyclohexyl)benzoate
EC Number	277-085-8
IUPAC Name	(4-cyanophenyl) 4-(4-pentylcyclohexyl)benzoate
InChI	InChI=1S/C25H29NO2/c1-2-3-4-5-19-6-10-21(11-7-19)22-12-14-23(15-13-22)25(27)28-24-16-8-20(18-26)9-17-24/h8-9,12-17,19,21H,2-7,10-11H2,1H3
InChI Key	IPGHZWGLMSBNAV-UHFFFAOYSA-N
MDL Number	MFCD09750946
Molecular Formula	C25H29NO2
Molecular Weight	375.5033
SMILES	O=C(OC1=CC=C(C#N)C=C1)C2=CC=C([C@H]3CC[C@H](CCCCC)CC3)C=C2
Synonyms	72928-55-3, 4-Cyanophenyl 4-(trans-4-pentylcyclohexyl)benzoate, (4-cyanophenyl) 4-(4-pentylcyclohexyl)benzoate, 4-CYANOPHENYL TRANS-4-(4-PENTYLCYCLOHEXYL)BENZOATE, Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, 4-cyanophenyl ester, EINECS 277-085-8, 4-Cyanophenyl 4-trans-(4-pentylcyclohexyl)benzoate, p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate, AC1L41G6, SCHEMBL9499273, SCHEMBL9499278, SCHEMBL13325817, CTK2H8053, KS-00000IKC, ZINC3894581, MFCD09750946, AKOS001584148, ZINC100003707, ZINC245189265, DS-6472, AJ-47359, AK129868, AN-37376, AX8017150, FT-0707580, 4-Cyanophenyl-4-trans-n-pentylcyclohexylbenzoate, 4-cyano-phenyl-4'-trans-pentylcyclohexyl benzoate, 928C553, A837672, I14-9121, 4-CYANOPHENYL 4-(4-PENTYLCYCLOHEXYL)BENZOATE, 4-Cyanophenyl trans-4-(4-n-pentylcyclohexyl)benzoate, 4-(4-Pentylcyclohexyl)benzoic acid 4-cyanophenyl ester, 4-(4-pentylcyclohexyl)benzoic acid (4-cyanophenyl) ester, 4-(4beta-Pentylcyclohexan-1alpha-yl)benzoic acid 4-cyanophenyl ester, 4-Cyanophenyl4- benzoate, C25H29NO2, C25-H29-N-O2, CID175308, ZINC03894581, trans-4-(4-Pentylcyclohexyl)benzoic acid 4-cyanophenyl ester, Benzoic acid, 4-(4-pentylcyclohexyl)-, 4-cyanophenyl ester, trans-, 71352-36-8,

Complexity	512
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	375.22g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	375.512g/mol
Monoisotopic Mass	375.22g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8

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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