AG005EGD

823222-03-3 | 2-Bromo-5-(trifluoromethyl)isonicotinic acid

AG005EGD

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CAS Number	823222-03-3
Catalog Number	AG005EGD(AGN-PC-0JEARQ)
Chemical Name	2-Bromo-5-(trifluoromethyl)isonicotinic acid
IUPAC Name	2-bromo-5-(trifluoromethyl)pyridine-4-carboxylic acid
InChI	InChI=1S/C7H3BrF3NO2/c8-5-1-3(6(13)14)4(2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChI Key	WHSHCWILIXJEGV-UHFFFAOYSA-N
MDL Number	MFCD16610250
Molecular Formula	C7H3BrF3NO2
Molecular Weight	270.0034
SMILES	O=C(O)C1=C(C(F)(F)F)C=NC(Br)=C1
Synonyms	2-bromo-5-(trifluoromethyl)isonicotinic acid, 823222-03-3, SCHEMBL19616177, CTK3E0722, DTXSID70838539, MFCD16610250, ZINC90550728, AKOS024263003, FCH1344605, AK372859, DS-13251, 2-Bromo-5-(trifluoromethyl)pyridine-4-carboxylic acid, 4-Pyridinecarboxylic acid, 2-bromo-5-(trifluoromethyl)-,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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