AG000AUS

1142191-66-9 | 2-Pyridinecarboxylic acid, 5-bromo-3-methoxy-

AG000AUS

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CAS Number	1142191-66-9
Catalog Number	AG000AUS(AGN-PC-07XSKG)
Chemical Name	2-Pyridinecarboxylic acid, 5-bromo-3-methoxy-
IUPAC Name	5-bromo-3-methoxypyridine-2-carboxylic acid
InChI	InChI=1S/C7H6BrNO3/c1-12-5-2-4(8)3-9-6(5)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key	UTRZGSGCVSZCCL-UHFFFAOYSA-N
MDL Number	MFCD11857696
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	O=C(O)C1=NC=C(Br)C=C1OC
Synonyms	5-Bromo-3-methoxypicolinic acid, 1142191-66-9, 5-bromo-3-methoxypyridine-2-carboxylic acid, AC1Q484Z, SCHEMBL3371450, CTK4A8645, DTXSID00673899, MFCD11857696, ZINC35270444, AKOS015893223, DS-9655, RTX-012115, AJ-91138, AK159261, DB-060593, 4CH-019787, 5-Bromo-3-methoxypicolinic acid, AldrichCPR, FT-0678878, ST24044473, X2983, 2-Pyridinecarboxylic acid, 5-bromo-3-methoxy-, A-6017, I04-3556, C7H6BrNO3,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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