AG0003CQ

1009735-23-2 | 3-Pyridinecarboxylic acid, 2-bromo-6-methoxy-, methyl ester

AG0003CQ

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CAS Number	1009735-23-2
Catalog Number	AG0003CQ(AGN-PC-0WD3H4)
Chemical Name	3-Pyridinecarboxylic acid, 2-bromo-6-methoxy-, methyl ester
IUPAC Name	methyl 2-bromo-6-methoxypyridine-3-carboxylate
InChI	InChI=1S/C8H8BrNO3/c1-12-6-4-3-5(7(9)10-6)8(11)13-2/h3-4H,1-2H3
InChI Key	QTEYDTHXMHRDGR-UHFFFAOYSA-N
MDL Number	MFCD18257522
Molecular Formula	C8H8BrNO3
Molecular Weight	246.0580
SMILES	O=C(OC)C1=C(Br)N=C(OC)C=C1
Synonyms	Methyl 2-bromo-6-methoxynicotinate, 1009735-23-2, methyl 2-bromo-6-methoxypyridine-3-carboxylate, DTXSID10856954, ZINC95830466, AK138897, AJ-134608, 3-Pyridinecarboxylic acid, 2-bromo-6-methoxy-, methyl ester,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.06g/mol
Monoisotopic Mass	244.969g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	48.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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