AG0013NT

137640-84-7 | 2-Pyridinecarboxylic acid, 6-[3-(trifluoromethyl)phenoxy]-

AG0013NT

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CAS Number	137640-84-7
Catalog Number	AG0013NT(AGN-PC-0L8AYB)
Chemical Name	2-Pyridinecarboxylic acid, 6-[3-(trifluoromethyl)phenoxy]-
IUPAC Name	6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
InChI	InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-6-2-5-10(17-11)12(18)19/h1-7H,(H,18,19)
InChI Key	LFRASJXUIQMIMC-UHFFFAOYSA-N
MDL Number	MFCD00227526
Molecular Formula	C13H8F3NO3
Molecular Weight	283.2027
SMILES	O=C(O)C1=NC(OC2=CC=CC(C(F)(F)F)=C2)=CC=C1
Synonyms	6-(3-(Trifluoromethyl)phenoxy)picolinic acid, 137640-84-7, 6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxylic acid, 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic Acid, AK-58768, 2-Pyridinecarboxylic acid, 6-[3-(trifluoromethyl)phenoxy]-, AC1N759U, SCHEMBL7110619, CTK8B5569, KS-00000IEQ, DTXSID60401438, LFRASJXUIQMIMC-UHFFFAOYSA-N, ZINC3131382, ANW-49166, MFCD00227526, AKOS005107762, DS-1247, MS-1415, AJ-44555, BR-58768, AB0035619, AX8168258, TC-137911, 4CH-009248, ST24029577, X9997, 6-[3-(trifluoromethyl)phenoxy] picolinic acid, S-7553, SR-01000308387, SR-01000308387-1, C13H8F3NO3, CID4271775,

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.046g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	283.206g/mol
Monoisotopic Mass	283.046g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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