AG0015PD

1217500-55-4 | Boronic acid, B-(3-chloro-2-fluoro-4-pyridinyl)-

AG0015PD

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CAS Number	1217500-55-4
Catalog Number	AG0015PD(AGN-PC-0786MI)
Chemical Name	Boronic acid, B-(3-chloro-2-fluoro-4-pyridinyl)-
IUPAC Name	(3-chloro-2-fluoropyridin-4-yl)boronic acid
InChI	InChI=1S/C5H4BClFNO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2,10-11H
InChI Key	VYHSSQRGIWMXJE-UHFFFAOYSA-N
MDL Number	MFCD09037477
Molecular Formula	C5H4BClFNO2
Molecular Weight	175.3532
SMILES	OB(O)C1=C(Cl)C(F)=NC=C1
Synonyms	1217500-55-4, 3-Chloro-2-fluoropyridine-4-boronic acid, (3-Chloro-2-fluoropyridin-4-yl)boronic acid, MFCD09037477, 3-chloro-2-fluoropyridin-4-ylboronic acid, ACMC-209af7, CHEMBL3236589, CTK4B2629, KS-00000QEV, DTXSID50660294, ZX-AP012385, ANW-17777, FCH920267, PC7583, SBB089087, AKOS006344683, ZINC169744914, AB49464, BS-2001, QC-6980, RTR-034649, VP13879, 3-Chloro-2-fluoropyridine-4-boronicacid, AK-84967, SY225965, (3-chloro-2-fluoro-4-pyridyl)boronic acid, AX8236057, DB-061964, TR-034649, CS-0060696, FT-0732028, X1661, (3-chloro-2-fluoro-4-pyridinyl)boronic acid, MFCD09037477 (95%), A-5512, (3-chloranyl-2-fluoranyl-pyridin-4-yl)boronic acid, Boronic acid, B-(3-chloro-2-fluoro-4-pyridinyl)-, I02-3385, C5H4BClFNO2,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.001g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	175.35g/mol
Monoisotopic Mass	175.001g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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