AG000PAM

1196147-56-4 | 2-Pyridinecarboxylic acid, 3-bromo-6-methoxy-

AG000PAM

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CAS Number	1196147-56-4
Catalog Number	AG000PAM(AGN-PC-0WA8B7)
Chemical Name	2-Pyridinecarboxylic acid, 3-bromo-6-methoxy-
IUPAC Name	3-bromo-6-methoxypyridine-2-carboxylic acid
InChI	InChI=1S/C7H6BrNO3/c1-12-5-3-2-4(8)6(9-5)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key	DJLLBSHGCMLODW-UHFFFAOYSA-N
MDL Number	MFCD13185812
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	BrC=1C(=NC(=CC1)OC)C(=O)O
Synonyms	3-Bromo-6-methoxypicolinic acid, 1196147-56-4, 3-Bromo-6-methoxypyridine-2-carboxylic acid, ACMC-209a3f, SCHEMBL19206992, CTK4A7594, DTXSID90704722, ANW-17353, MFCD13185812, ZINC71256522, AKOS015835159, AB66791, FCH1380761, AK-92161, DS-17590, AJ-117730, AX8230329, DB-083557, TR-034066, FT-0734641, ST24022770, Z8102, 3-Bromo-6-methoxy-pyridine-2-carboxylic acid, A-3542, 3-BROMO-6-METHOXY-2-PYRIDINECARBOXYLIC ACID, I04-1758, C7H6BrNO3, 3-Bromo-6-methoxypicolinicacid,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.953g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.033g/mol
Monoisotopic Mass	230.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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