AG0084EV

1060809-33-7 | 6-Bromo-4-fluoronicotinic acid

AG0084EV

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CAS Number	1060809-33-7
Catalog Number	AG0084EV(AGN-PC-0BS74B)
Chemical Name	6-Bromo-4-fluoronicotinic acid
IUPAC Name	6-bromo-4-fluoropyridine-3-carboxylic acid
InChI	InChI=1S/C6H3BrFNO2/c7-5-1-4(8)3(2-9-5)6(10)11/h1-2H,(H,10,11)
InChI Key	BUNHEJGCSBSFEE-UHFFFAOYSA-N
MDL Number	MFCD13189252
Molecular Formula	C6H3BrFNO2
Molecular Weight	219.9959
SMILES	OC(C1=C(F)C=C(Br)N=C1)=O
Synonyms	6-bromo-4-fluoronicotinic acid, 1060809-33-7, SCHEMBL11937852, CTK4A4336, DTXSID90721191, 1363AA, ZINC71864263, AB68043, FCH1381205, SC-89290, AJ-118914, AX8247636, 6-BROMO-4-FLUOROPYRIDINE-3-CARBOXYLIC ACID, C6H3BrFNO2,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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