AG003A6J

1186194-46-6 | 5-Bromo-6-methoxynicotinic acid

AG003A6J

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CAS Number	1186194-46-6
Catalog Number	AG003A6J(AGN-PC-07HBEV)
Chemical Name	5-Bromo-6-methoxynicotinic acid
IUPAC Name	5-bromo-6-methoxypyridine-3-carboxylic acid
InChI	InChI=1S/C7H6BrNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key	DYSLRNROALTKNA-UHFFFAOYSA-N
MDL Number	MFCD11226508
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	BrC=1C(=NC=C(C(=O)O)C1)OC
Synonyms	5-BROMO-6-METHOXYNICOTINIC ACID, 1186194-46-6, 5-BROMO-6-METHOXYPYRIDINE-3-CARBOXYLIC ACID, 3-Pyridinecarboxylic acid, 5-bromo-6-methoxy-, SCHEMBL1809302, DYSLRNROALTKNA-UHFFFAOYSA-N, 5-Bromo-6-methoxy-nicotinic Acid, BBL100784, MFCD11226508, STL554578, ZINC84229498, AKOS005255391, AB64029, DS-9311, AK151001, AJ-126176, CS-0041802, 3-BROMO-2-METHOXY-5-PYRIDINECARBOXYLIC ACID, Z2353496673,

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	1.4

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

Lot Number