AG00CA7D

38186-87-7 | 5-fluoro-6-bromonicotinc acid

AG00CA7D

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CAS Number	38186-87-7
Catalog Number	AG00CA7D(AGN-PC-0WALNP)
Chemical Name	5-fluoro-6-bromonicotinc acid
IUPAC Name	6-bromo-5-fluoropyridine-3-carboxylic acid
InChI	InChI=1S/C6H3BrFNO2/c7-5-4(8)1-3(2-9-5)6(10)11/h1-2H,(H,10,11)
InChI Key	YYLYQDSWERQSTR-UHFFFAOYSA-N
MDL Number	MFCD11036153
Molecular Formula	C6H3BrFNO2
Molecular Weight	219.9959
SMILES	BrC1=NC=C(C(=O)O)C=C1F
Synonyms	6-Bromo-5-fluoronicotinic acid, 38186-87-7, 6-Bromo-5-fluoropyridine-3-carboxylic acid, SCHEMBL487554, 5-fluoro-6-bromonicotinc acid, 6-bromo-5-fluoro-nicotinic acid, DTXSID80672300, YYLYQDSWERQSTR-UHFFFAOYSA-N, BBL100783, MFCD11036153, STL554577, ZINC71773551, AKOS005255474, AB62700, FCH1401356, BC005047, PC305017, PS-11713, SY027978, AB0072267, FT-0761990, 3-Pyridinecarboxylic acid, 6-bromo-5-fluoro-, Z-3760, 6-Bromo-5-fluoropyridine-3-carboxylic acid, 96%, 2-BROMO-3-FLUORO-5-PYRIDINECARBOXYLIC ACID,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.933g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.997g/mol
Monoisotopic Mass	218.933g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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

Lot Number