AG002J38

207502-65-6 | 2-(4-(Trifluoromethyl)nicotinamido)acetic acid

AG002J38

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CAS Number	207502-65-6
Catalog Number	AG002J38(AGN-PC-07YK74)
Chemical Name	2-(4-(Trifluoromethyl)nicotinamido)acetic acid
IUPAC Name	2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid
InChI	InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)
InChI Key	AXMBYGGSBXWTEY-UHFFFAOYSA-N
MDL Number	MFCD11112215
Molecular Formula	C9H7F3N2O3
Molecular Weight	248.1587
SMILES	O=C(O)CNC(C1=CN=CC=C1C(F)(F)F)=O
UNII	XR92OK084J
Synonyms	207502-65-6, 2-(4-(trifluoromethyl)nicotinamido)acetic acid, UNII-XR92OK084J, Glycine, N-[[4-(trifluoromethyl)-3-pyridinyl]carbonyl]-, 4-(Trifluoromethyl)nicotinoyl Glycine, N-[[4-(Trifluoromethyl)-3-pyridinyl]carbonyl]glycine, N-[[4-[trifluoromethyl]-3-pyridinyl]carbonyl]-glycine, XR92OK084J, Glycine, N-((4-(trifluoromethyl)-3-pyridinyl)carbonyl)-, 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid, N-{[4-(Trifluoromethyl)-3-pyridinyl]carbonyl}glycine, N-(4-Trifluoromethylnicotinoyl)glycine, N-[[4-(Trifluoromethyl)-3-pyridinyl]carbonyl]-glycine, TFNG, Flonicamid-carboxylic acid, SCHEMBL8569196, CTK0J8478, DTXSID40676420, BCP28062, 4374AJ, MFCD11112215, ZINC67172330, (4-(trifluoromethyl)nicotinoyl)glycine, AKOS015856129, NE63483, N-(4-trifluoromethylnicotinoyl) glycine, AK153390, AS-47334, PC450018, AJ-116820, AX8231841, TC-062564, FT-0732078, N-[4-(Trifluoromethyl)pyridine-3-carbonyl]glycine, 2-{[4-(trifluoromethyl)pyridin-3-yl]formamido}acetic acid, Flonicamid Metabolite TFNG, PESTANAL(R), analytical standard, TFNGSTANDARD, C9H7F3N2O3, ACN-044517, CS-T-45351, A4504,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.041g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	248.161g/mol
Monoisotopic Mass	248.041g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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