AG000ODJ

1256789-95-3 | 2-Pyridinecarboxylic acid, 5-bromo-4-methoxy-, methyl ester

AG000ODJ

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CAS Number	1256789-95-3
Catalog Number	AG000ODJ(AGN-PC-0WAM0P)
Chemical Name	2-Pyridinecarboxylic acid, 5-bromo-4-methoxy-, methyl ester
IUPAC Name	methyl 5-bromo-4-methoxypyridine-2-carboxylate
InChI	InChI=1S/C8H8BrNO3/c1-12-7-3-6(8(11)13-2)10-4-5(7)9/h3-4H,1-2H3
InChI Key	PPTFIKIWCZHYRA-UHFFFAOYSA-N
MDL Number	MFCD18257513
Molecular Formula	C8H8BrNO3
Molecular Weight	246.0580
SMILES	BrC=1C(=CC(=NC1)C(=O)OC)OC
Synonyms	Methyl 5-bromo-4-methoxypicolinate, 1256789-95-3, methyl 5-bromo-4-methoxypyridine-2-carboxylate, AK141802, 2-Pyridinecarboxylic acid, 5-bromo-4-methoxy-, methyl ester, SCHEMBL18340557, DTXSID30856537, KS-000001PA, MFCD18257513, ZINC95080574, AKOS022173463, CS-W005518, DS-7323, FCH1365620, SB21497, SC-94058, AJ-132081, AX8281939, ST2407277, 4CH-016861, 2-Pyridinecarboxylic acid, 5-bromo-4-methoxy-, met, 3,4,5-TRICHLOROANILINE, 634-91-3,

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	1.7

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

Lot Number