AG003I2U

214360-46-0 | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

AG003I2U

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CAS Number	214360-46-0
Catalog Number	AG003I2U(AGN-PC-0KKO1W)
Chemical Name	3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
IUPAC Name	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI	InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3
InChI Key	FIGQEPXOSAFKTA-UHFFFAOYSA-N
MDL Number	MFCD03789262
Molecular Formula	C13H16BNO2
Molecular Weight	229.0826
SMILES	N#CC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1
Synonyms	214360-46-0, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 3-Cyanophenylboronic acid pinacol ester, 3-Cyanophenylboronic acid, pinacol ester, MFCD03789262, 3-Cyanobenzeneboronic acid pinacol ester, AK-61683, Benzonitrile, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 3-Cyanophenylboronic acid pinacol ester, 97%, PubChem15603, AC1MC30T, SCHEMBL760732, CTK7C8369, DTXSID40375244, FIGQEPXOSAFKTA-UHFFFAOYSA-N, BM076, ZXBA000058, 3-CyanophenylboronicAcidPinacolEster, ACT11015, KS-00000AU6, ZX-AT021123, ANW-42937, AKOS015950762, ZINC169743513, AB16130, AM62755, AN-1724, AS-2730, CS-W003113, FCH1445025, OR11008, RTR-010050, TRA0070809, 3-Cyanobenzeneboronic acid, pinacol ester, ACM214360460, BBV-42268161, BC000251, CC-12423, QC-10914, SC-20376, SY023527, AB0009862, AB1004348, AX8014774, DB-045579, TR-010050, 4CH-026730, FT-0643970, B-7866, MFCD03789262 (97+%), (3-CYANOPHENYL)BORONIC ACID PINACOL ESTER, C-13207, J-014061, 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 2-(3-cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, C13H16BNO2, ACN-032632, CID2760590, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ben, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrilele, 98% - 1G 1g,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.127g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.086g/mol
Monoisotopic Mass	229.127g/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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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