AG008GGK

863868-32-0 | 2-METHYL-5-CYANOPHENYL BORONIC ACID PINACOL ESTER

AG008GGK

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CAS Number	863868-32-0
Catalog Number	AG008GGK(AGN-PC-088E8T)
Chemical Name	2-METHYL-5-CYANOPHENYL BORONIC ACID PINACOL ESTER
IUPAC Name	4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI	InChI=1S/C14H18BNO2/c1-10-6-7-11(9-16)8-12(10)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3
InChI Key	GAEPDTKCKFRFPX-UHFFFAOYSA-N
MDL Number	MFCD11617918
Molecular Formula	C14H18BNO2
Molecular Weight	243.1092
SMILES	N#CC1=CC=C(C)C(B2OC(C)(C)C(C)(C)O2)=C1
Synonyms	863868-32-0, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 2-METHYL-5-CYANOPHENYLBORONIC ACID PINACOL ESTER, Benzonitrile,4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, SCHEMBL14895853, CTK5F6544, DTXSID30678610, GAEPDTKCKFRFPX-UHFFFAOYSA-N, MFCD11617918, AKOS022176075, ZINC169748165, FCH2839635, MB10006, OR361433, AX8208906, TX-010808, ST24043892, B-4655, A841630, J-510002, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile, 3-(Methylthio)-2,4-triazine, 2-Methyl-5-cyanophenyl boronic acid pinacol ester, 2-METHYL-5-CYANOPHENYLBORONICACIDPINACOLESTER,

Complexity	355
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.143g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.113g/mol
Monoisotopic Mass	243.143g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number