AG003H9A

1040681-74-0 | 2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid

AG003H9A

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CAS Number	1040681-74-0
Catalog Number	AG003H9A(AGN-PC-0WBSCT)
Chemical Name	2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid
IUPAC Name	2-fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C7H3F4NO2/c8-5-4(6(13)14)3(1-2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChI Key	ABXMDMDQUVWALB-UHFFFAOYSA-N
MDL Number	MFCD10687403
Molecular Formula	C7H3F4NO2
Molecular Weight	209.0978
SMILES	O=C(O)C1=C(F)N=CC=C1C(F)(F)F
Synonyms	2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid, 1040681-74-0, 2-Fluoro-4-(trifluoromethyl)nicotinic acid, MFCD10687403, 2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylicacid, 2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid, 97%, W-204521, ACMC-20anv9, SCHEMBL1699267, CTK4A2655, DTXSID80651276, ABXMDMDQUVWALB-UHFFFAOYSA-N, BBL100857, SBB094146, STL554651, ZINC19737459, AKOS005255117, FCH1327446, RP04704, RTR-054079, VP11168, AJ-74803, AB0039426, DB-059087, TR-054079, FT-0720100, Y6889, X-4226, J-509394, C7H3F4NO2,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.1g/mol
Monoisotopic Mass	209.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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