AG00DF2J

548797-51-9 | 3-Chloro-4-cyanophenylboronic acid pinacol ester

AG00DF2J

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	548797-51-9
Catalog Number	AG00DF2J(AGN-PC-0C3KC3)
Chemical Name	3-Chloro-4-cyanophenylboronic acid pinacol ester
IUPAC Name	2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI	InChI=1S/C13H15BClNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10/h5-7H,1-4H3
InChI Key	ZOSROBSLLRBHDG-UHFFFAOYSA-N
MDL Number	MFCD16996249
Molecular Formula	C13H15BClNO2
Molecular Weight	263.5277
SMILES	N#CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1Cl
Synonyms	2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 548797-51-9, ACMC-209ljw, SCHEMBL748654, CTK8B1880, DTXSID70728300, ZOSROBSLLRBHDG-UHFFFAOYSA-N, ANW-32202, MFCD16996249, AKOS016010857, ZINC169978568, FCH2776347, MB20307, OR360998, AX8245451, TC-120947, V6558, B-8770, EN300-176016, 3-Chloro-4-cyanophenylboronic acid pinacol ester, 2-chloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile, 2-chloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile, BENZONITRILE, 2-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, C13H15BClNO2,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.088g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.528g/mol
Monoisotopic Mass	263.088g/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

Certificate of Analysis

Lot Number