AG0085AM

1052114-83-6 | 5-Bromo-4-hydroxynicotinic acid

AG0085AM

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CAS Number	1052114-83-6
Catalog Number	AG0085AM(AGN-PC-0WAB6W)
Chemical Name	5-Bromo-4-hydroxynicotinic acid
IUPAC Name	5-bromo-4-oxo-1H-pyridine-3-carboxylic acid
InChI	InChI=1S/C6H4BrNO3/c7-4-2-8-1-3(5(4)9)6(10)11/h1-2H,(H,8,9)(H,10,11)
InChI Key	GZZLALVERDWLIO-UHFFFAOYSA-N
MDL Number	MFCD11101029
Molecular Formula	C6H4BrNO3
Molecular Weight	218.0049
SMILES	O=C(O)C1=CN=CC(Br)=C1O
Synonyms	5-Bromo-4-hydroxynicotinic acid, 1052114-83-6, 5-Bromo-4-oxo-1,4-dihydropyridine-3-carboxylic acid, SCHEMBL15334246, CTK8B4855, KS-00000PRG, DTXSID90733875, GZZLALVERDWLIO-UHFFFAOYSA-N, ANW-46538, MFCD11101029, ZINC77028231, AKOS015998679, AK-84818, AS-50217, SC-45460, AJ-122408, AX8226541, TC-135283, 5-Bromo-4-hydroxypyridine-3-carboxylic acid, FT-0702917, ST24023965, X8744, W-4368, C6H4BrNO3, 1175512-08-9,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.937g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.006g/mol
Monoisotopic Mass	216.937g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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