AG00C0CI

325141-71-7 | (2-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER

AG00C0CI

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CAS Number	325141-71-7
Catalog Number	AG00C0CI(AGN-PC-0L0PPV)
Chemical Name	(2-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER
IUPAC Name	2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
InChI	InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-8-6-5-7-11(12)9-10-16/h5-8H,9H2,1-4H3
InChI Key	FIARMBRSPSECPP-UHFFFAOYSA-N
MDL Number	MFCD02179457
Molecular Formula	C14H18BNO2
Molecular Weight	243.1092
SMILES	N#CCC1=CC=CC=C1B2OC(C)(C)C(C)(C)O2
Synonyms	325141-71-7, 2-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile, 2-Cyanomethylphenylboronic acid, pinacol ester, (2-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER, (2-Cyanomethylphenyl)boronic acid pinacol ester, MFCD02179457, 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile, BENZENEACETONITRILE, 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, AC1MYJNG, SCHEMBL534206, CTK8B3693, DTXSID50397058, FIARMBRSPSECPP-UHFFFAOYSA-N, ZX-AT000637, ANW-42951, OR4072, AKOS022172756, ZINC169747238, AB11169, FCH2717258, PS-9708, RTR-013654, VB10425, ACM325141717, AK-84214, CC-00369, AX8044234, ST2403813, TR-013654, 2-Cyanomethylphenylboronic acid,pinacol ester, FT-0644419, (2-Cyanomethylphenyl)boronic acid,pinacol ester, B-8118, 2-(Cyanomethyl)benzeneboronic acid, pinacol ester, C-14705, J-018767, 2-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile, [2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetonitrile, [2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]acetonitrile, [2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)benzeneacetonitrile, Benzeneacetonitrile,2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, CID3832884,

Complexity	342
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	2
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	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code	UN 3276

Certificate of Analysis

Lot Number