AG00340M

171364-82-2 | 4-Cyanobenzeneboronic acid, pinacol ester

AG00340M

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CAS Number	171364-82-2
Catalog Number	AG00340M(AGN-PC-0KK6NM)
Chemical Name	4-Cyanobenzeneboronic acid, pinacol ester
IUPAC Name	4-(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)11-7-5-10(9-15)6-8-11/h5-8H,1-4H3
InChI Key	HOPDTPGXBZCBNP-UHFFFAOYSA-N
MDL Number	MFCD03093897
Molecular Formula	C13H16BNO2
Molecular Weight	229.0826
SMILES	N#Cc1ccc(cc1)B2OC(C)(C)C(O2)(C)C
Synonyms	171364-82-2, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 4-Cyanophenylboronic acid pinacol ester, 4-cyanophenylboronic acid, pinacol ester, MFCD03093897, 4-cyanobenzeneboronic acid, pinacol ester, 4-cyanobenzeneboronic acid pinacol ester, AK-63063, Benzonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile, 2-(4-CYANOPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 97%, HOPDTPGXBZCBNP-UHFFFAOYSA-N, PubChem7923, AC1MC1K8, AMTB014, SCHEMBL476909, CTK8B0987, DTXSID30370405, BM063, ZXBA000047, ZX-AT021996, ANW-22517, CC-966, AKOS015950729, ZINC169743290, AB13287, AM62749, AN-1733, AS-2265, FCH2712702, OR11009, RL02204, RTR-007537, BC000200, CC-16458, SY024024, AB0008772, AB1003916, AX8014775, DB-043864, ST2405350, TR-007537, CS-0030567, FT-0643642, 4-Cyanophenylboronic acid pinacol ester, 97%, MFCD03093897 (97%), B-3080, (4-CYANOPHENYL)BORONIC ACID PINACOL ESTER, C-13206, J-010716, J-513428, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 4-(4?4?5?5-Tetramethyl-1?3?2-dioxaborolan-2-yl)benzonitrile, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile, C13H16BNO2, 4-Cyanophenylboronicacidpinacolester, ACN-032664, CID2734625, T3350, 741709-63-7, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 97% - 1G 1g,

Complexity	321
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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number