AG001269

1366482-40-7 | Boronic acid, B-(5,6-difluoro-3-pyridinyl)-

AG001269

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CAS Number	1366482-40-7
Catalog Number	AG001269(AGN-PC-0J2C98)
Chemical Name	Boronic acid, B-(5,6-difluoro-3-pyridinyl)-
IUPAC Name	(5,6-difluoropyridin-3-yl)boronic acid
InChI	InChI=1S/C5H4BF2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2,10-11H
InChI Key	DMQCLRPLFKDGQN-UHFFFAOYSA-N
MDL Number	MFCD21609554
Molecular Formula	C5H4BF2NO2
Molecular Weight	158.8986
SMILES	FC1=C(F)C=C(B(O)O)C=N1
Synonyms	1366482-40-7, (5,6-Difluoropyridin-3-yl)boronic acid, 2,3-Difluoropyridine-5-boronic acid, (5,6-difluoro-3-pyridyl)boronic acid, ACMC-209c9j, SCHEMBL15414567, CTK8B0589, DTXSID20742935, DMQCLRPLFKDGQN-UHFFFAOYSA-N, ANW-20165, MFCD21609554, 5,6-difluoropyridin-3-ylboronic acid, AKOS016010711, ZINC169964847, FCH1566109, (5,6-difluoro-3-pyridinyl)boronic acid, AS-48830, PC412379, AX8244781, TC-108910, CS-0092145, V2657, [5,6-bis(fluoranyl)pyridin-3-yl]boronic acid, Boronic acid, B-(5,6-difluoro-3-pyridinyl)-, K-4388, C5H4BF2NO2,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.03g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	158.899g/mol
Monoisotopic Mass	159.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number