AG000TYX

1300750-50-8 | Boronic acid, B-[2-(difluoromethoxy)-3-pyridinyl]-

AG000TYX

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CAS Number	1300750-50-8
Catalog Number	AG000TYX(AGN-PC-0WAN07)
Chemical Name	Boronic acid, B-[2-(difluoromethoxy)-3-pyridinyl]-
IUPAC Name	[2-(difluoromethoxy)pyridin-3-yl]boronic acid
InChI	InChI=1S/C6H6BF2NO3/c8-6(9)13-5-4(7(11)12)2-1-3-10-5/h1-3,6,11-12H
InChI Key	YTNMJXVIJXDALS-UHFFFAOYSA-N
MDL Number	MFCD18261901
Molecular Formula	C6H6BF2NO3
Molecular Weight	188.9245
SMILES	FC(F)OC1=NC=CC=C1B(O)O
Synonyms	(2-(Difluoromethoxy)pyridin-3-yl)boronic acid, 1300750-50-8, 2-(difluoromethoxy)pyridin-3-ylboronic acid, AK131554, [2-(Difluoromethoxy)pyridin-3-yl]boronic acid, DTXSID80744612, MFCD18261901, AKOS016015199, ZINC169992858, CS-W007175, DS-6940, FCH1190724, RL01429, AX8252477, 4CH-005696, ST24033776, J-506376, Boronic acid, B-[2-(difluoromethoxy)-3-pyridinyl]-,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.041g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	188.925g/mol
Monoisotopic Mass	189.041g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number