AG000SNT

1263374-42-0 | Boronic acid, B-(2,3-difluoro-4-pyridinyl)-

AG000SNT

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CAS Number	1263374-42-0
Catalog Number	AG000SNT(AGN-PC-0WAMF6)
Chemical Name	Boronic acid, B-(2,3-difluoro-4-pyridinyl)-
IUPAC Name	(2,3-difluoropyridin-4-yl)boronic acid
InChI	InChI=1S/C5H4BF2NO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2,10-11H
InChI Key	LJEFUOGGCMPGHN-UHFFFAOYSA-N
MDL Number	MFCD12022339
Molecular Formula	C5H4BF2NO2
Molecular Weight	158.8986
SMILES	FC1=C(B(O)O)C=CN=C1F
Synonyms	1263374-42-0, (2,3-difluoropyridin-4-yl)boronic acid, 2,3-DIFLUOROPYRIDINE-4-BORONIC ACID, 2,3-difluoropyridin-4-ylboronic acid, AK188359, 2,3-difluoro-4-pyridineboronic acid, SCHEMBL1191847, KS-00000TAN, LJEFUOGGCMPGHN-UHFFFAOYSA-N, FCH898028, MFCD12022339, AKOS006317185, ZINC169956693, (2,3-difluoro-4-pyridyl)boronic acid, DS-9889, SB13654, (2,3-difluoro-4-pyridinyl)boronic acid, 2,3-Difluoro-4-(dihydroxyboryl)pyridine, PC412378, SY102200, Boronicacid,B-(2,3-difluoro-4-pyridinyl)-, CS-0028744, Z9318, MFCD12022339 (95%), [2,3-bis(fluoranyl)pyridin-4-yl]boronic acid, Boronic acid, B-(2,3-difluoro-4-pyridinyl)-, C-2360, 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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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