AG003L9L

1072946-01-0 | (4-Cyanopyridin-2-Yl)Boronic Acid

AG003L9L

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CAS Number	1072946-01-0
Catalog Number	AG003L9L(AGN-PC-0WAAC6)
Chemical Name	(4-Cyanopyridin-2-Yl)Boronic Acid
IUPAC Name	(4-cyanopyridin-2-yl)boronic acid
InChI	InChI=1S/C6H5BN2O2/c8-4-5-1-2-9-6(3-5)7(10)11/h1-3,10-11H
InChI Key	XVCMGWIQWZNIRW-UHFFFAOYSA-N
MDL Number	MFCD08703250
Molecular Formula	C6H5BN2O2
Molecular Weight	147.9271
SMILES	N#CC1=CC(B(O)O)=NC=C1
Synonyms	4-cyanopyridine-2-boronic acid, 1072946-01-0, (4-Cyanopyridin-2-yl)boronic acid, 2-Boronoisonicotinonitrile, ACMC-2098r5, SCHEMBL4102889, CTK4A5223, DTXSID00674402, ANW-15615, AKOS006287819, ZINC169746327, RTR-001547, 4-cyanopyridine-2-boronic acid, AldrichCPR, DB-059605, TR-001547, FT-0747041, Z7025, A-4536, I02-3260, J-001769, C6H5BN2O2,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.044g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	147.928g/mol
Monoisotopic Mass	148.044g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	77.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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