AG00C77A

38186-89-9 | 2-Bromo-5-fluoro-nicotinic acid

AG00C77A

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CAS Number	38186-89-9
Catalog Number	AG00C77A(AGN-PC-09S0CY)
Chemical Name	2-Bromo-5-fluoro-nicotinic acid
IUPAC Name	2-bromo-5-fluoropyridine-3-carboxylic acid
InChI	InChI=1S/C6H3BrFNO2/c7-5-4(6(10)11)1-3(8)2-9-5/h1-2H,(H,10,11)
InChI Key	ZTQQDQFYFNLILK-UHFFFAOYSA-N
MDL Number	MFCD11870208
Molecular Formula	C6H3BrFNO2
Molecular Weight	219.9959
SMILES	O=C(O)C1=C(Br)N=CC(F)=C1
Synonyms	38186-89-9, 2-Bromo-5-fluoro-nicotinic acid, 2-BROMO-5-FLUORONICOTINIC ACID, 2-bromo-5-fluoro-3-pyridinecarboxylic acid, 2-BROMO-5-FLUOROPYRIDINE-3-CARBOXYLIC ACID, PubChem19483, DTXSID50697606, ABBYPHARMA AP-30-7439, MFCD11870208, ZINC71617263, AKOS016013067, AB64987, FCH1407416, QC-3708, RL03459, ACM38186899, BC004445, AB0070946, AJ-118282, AX8168792, FT-0736757, C-0650, 2-bromanyl-5-fluoranyl-pyridine-3-carboxylic acid, A824044, J-508364, 2-bromo-5-fluoropyridine-3-carboxylic acid, 95% - 1G 1g,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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