AG007P52

1211580-84-5 | 5-bromo-3-(trifluoromethyl)pyridine-2-carboxylic acid

AG007P52

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CAS Number	1211580-84-5
Catalog Number	AG007P52(AGN-PC-0WCJSF)
Chemical Name	5-bromo-3-(trifluoromethyl)pyridine-2-carboxylic acid
IUPAC Name	5-bromo-3-(trifluoromethyl)pyridine-2-carboxylic acid
InChI	InChI=1S/C7H3BrF3NO2/c8-3-1-4(7(9,10)11)5(6(13)14)12-2-3/h1-2H,(H,13,14)
InChI Key	PQVPMPDGEIKZRG-UHFFFAOYSA-N
MDL Number	MFCD13185433
Molecular Formula	C7H3BrF3NO2
Molecular Weight	270.0034
SMILES	O=C(C1=NC=C(Br)C=C1C(F)(F)F)O
Synonyms	1211580-84-5, 5-bromo-3-(trifluoromethyl)picolinic acid, 5-Bromo-3-(trifluoromethyl)-2-pyridinecarboxylic acid, 5-bromo-3-(trifluoromethyl)pyridine-2-carboxylic acid, SCHEMBL17047064, CTK4B2214, DTXSID70718761, MFCD13185433, WT2019, ZINC71790997, AKOS015834425, FCH1380638, AS-41035, QC-10304, AB0091910, AJ-118654, TR-034496, 1211580-84-5 5-bromo-3-(trifluoromethyl)pyridine-2-carboxylic acid, ACN-056536, 5-bromo-3-(trifluoromethyl)pyridine-2-carboxylic acid, 95% - 1G 1g,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.93g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	270.005g/mol
Monoisotopic Mass	268.93g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number