AG009YCF

1211581-51-9 | 2-(Difluoromethoxy)isonicotinic acid

AG009YCF

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CAS Number	1211581-51-9
Catalog Number	AG009YCF(AGN-PC-0WCRWM)
Chemical Name	2-(Difluoromethoxy)isonicotinic acid
IUPAC Name	2-(difluoromethoxy)pyridine-4-carboxylic acid
InChI	InChI=1S/C7H5F2NO3/c8-7(9)13-5-3-4(6(11)12)1-2-10-5/h1-3,7H,(H,11,12)
InChI Key	UZXZLODCGSAFNJ-UHFFFAOYSA-N
MDL Number	MFCD18258474
Molecular Formula	C7H5F2NO3
Molecular Weight	189.1163
SMILES	O=C(O)C1=CC=NC(OC(F)F)=C1
Synonyms	2-(difluoromethoxy)isonicotinic acid, 1211581-51-9, 2-(difluoromethoxy)pyridine-4-carboxylic acid, 2-(Difluoromethoxy)isonicotinicacid, SCHEMBL10162114, DTXSID80737923, MFCD18258474, ZINC91362282, KS-8366, RL00898, AK131550, AJ-131002, J-506370,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.118g/mol
Monoisotopic Mass	189.024g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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