AG00I7SE

396131-82-1 | Benzeneacetonitrile, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

AG00I7SE

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CAS Number	396131-82-1
Catalog Number	AG00I7SE(AGN-PC-0KKVD9)
Chemical Name	Benzeneacetonitrile, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
IUPAC Name	2-[3-(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)12-7-5-6-11(10-12)8-9-16/h5-7,10H,8H2,1-4H3
InChI Key	LIWPKYSGWSFPEE-UHFFFAOYSA-N
MDL Number	MFCD02179458
Molecular Formula	C14H18BNO2
Molecular Weight	243.1092
SMILES	CC1(C)OB(OC1(C)C)C1=CC=CC(CC#N)=C1
Synonyms	396131-82-1, 2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile, 3-(CYANOMETHYL)BENZENEBORONIC ACID PINACOL ESTER, (3-Cyanomethyl)phenylboronic acid pinacol ester, MFCD02179458, 3-Cyanomethylphenylboronic acid, pinacol ester, 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile, 2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile, [3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ACETONITRILE, 3-(Cyanomethyl)phenylboronic acid pinacol ester, 97%, (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile, PubChem7790, AC1MCMT6, SCHEMBL762075, CTK8B3692, DTXSID40378391, LIWPKYSGWSFPEE-UHFFFAOYSA-N, ZXBA000694, ZX-AT009401, ZX-CM007924, ANW-42950, AKOS015950758, ZINC169743573, AB11170, FCH2713241, OR10423, RP28564, RTR-015824, VB10584, ACM396131821, CC-12636, AB1004418, AX8015493, TR-015824, 4CH-024186, FT-0644572, ST24039265, B-3432, A824649, C-14706, J-505704, (3-(CYANOMETHYL)PHENYL)BORONIC ACID PINACOL ESTER, 3-(cyanomethyl)benzeneboronic acid pinacol ester, AldrichCPR, 3-(Cyanomethyl)phenylboronic acid, pinacol ester, AldrichCPR, 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanenitrile, Benzeneacetonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, BENZENEACETONITRILE, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, (3-Cyanomethylphenyl)boronic acid pinacol ester; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-Benzeneacetonitrile, BORONICACID,PINACOLESTER, CID2773343, 3-(Cyanomethyl)phenylboronic acid, pinacol ester, (3-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER,

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
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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