AG003MG7

749875-16-9 | 5-Bromo-2-trifluoromethyl-isonicotinic acid

AG003MG7

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CAS Number	749875-16-9
Catalog Number	AG003MG7(AGN-PC-05CAGZ)
Chemical Name	5-Bromo-2-trifluoromethyl-isonicotinic acid
IUPAC Name	5-bromo-2-(trifluoromethyl)pyridine-4-carboxylic acid
InChI	InChI=1S/C7H3BrF3NO2/c8-4-2-12-5(7(9,10)11)1-3(4)6(13)14/h1-2H,(H,13,14)
InChI Key	XNVAVQMVAYUTBA-UHFFFAOYSA-N
MDL Number	MFCD10687236
Molecular Formula	C7H3BrF3NO2
Molecular Weight	270.0034
SMILES	OC(=O)C1=CC(=NC=C1Br)C(F)(F)F
Synonyms	749875-16-9, 5-bromo-2-(trifluoromethyl)isonicotinic acid, 5-BROMO-2-(TRIFLUOROMETHYL)PYRIDINE-4-CARBOXYLIC ACID, 5-Bromo-2-trifluoromethyl-isonicotinic acid, MFCD10687236, 4-Pyridinecarboxylic acid, 5-bromo-2-(trifluoromethyl)-, SCHEMBL2990846, AMPD00202, CTK2H5440, DTXSID70651265, KS-00000CW5, ANW-59518, BBL102555, STL556358, ZINC19736840, AKOS005255211, AB56460, AM85899, FCH1400795, QC-4217, RP06479, TRA0060686, VP11153, AC-27369, AJ-74740, AK-50089, AS-41819, SY024143, 5-Bromo-2-(trifluoromethyl)isonicotinicAcid, AB0042133, AX8165812, DB-074928, TR-037662, 4CH-005503, FT-0753279, ST24044409, Y9997, A21942, Z-3481, MFCD10687236 (95+%), I02-2620, J-516859, 4-Pyridinecarboxylicacid, 5-bromo-2-(trifluoromethyl)-, C7H3BrF3NO2, ACN-001202,

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

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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