AG001UPB

164220-57-9 | Boronic acid, B-[4-(trans-4-ethylcyclohexyl)phenyl]-

AG001UPB

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CAS Number	164220-57-9
Catalog Number	AG001UPB(AGN-PC-0WA9OL)
Chemical Name	Boronic acid, B-[4-(trans-4-ethylcyclohexyl)phenyl]-
IUPAC Name	[4-(4-ethylcyclohexyl)phenyl]boronic acid
InChI	InChI=1S/C14H21BO2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h7-12,16-17H,2-6H2,1H3
InChI Key	QRCCELWUDZLZLP-UHFFFAOYSA-N
MDL Number	MFCD12546553
Molecular Formula	C14H21BO2
Molecular Weight	232.1263
SMILES	CC[C@H]1CC[C@H](C2=CC=C(B(O)O)C=C2)CC1
Synonyms	164220-57-9, 4-(TRANS-4-ETHYLCYCLOHEXYL)PHENYLBORONIC ACID, (4-(trans-4-Ethylcyclohexyl)phenyl)boronic acid, ACMC-209dqq, [4-(4-ethylcyclohexyl)phenyl]boronic acid, SCHEMBL2556128, SCHEMBL9225249, CTK4D1754, DTXSID00675232, ANW-22080, MFCD12546553, AKOS015838525, ZINC169904961, ZINC169980055, ZINC250662660, OR361664, TR-035861, X0561, 4-(trans-4-ethyl cyclohexyl)phenylboronic acid, A-9187, Boronic acid, B-[4-(trans-4-ethylcyclohexyl)phenyl]-, C14H21BO2,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.163g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	232.13g/mol
Monoisotopic Mass	232.163g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number