AG004AEX

886365-22-6 | 5-Bromo-2-methoxyisonicotinic acid

AG004AEX

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CAS Number	886365-22-6
Catalog Number	AG004AEX(AGN-PC-0BSCEX)
Chemical Name	5-Bromo-2-methoxyisonicotinic acid
IUPAC Name	5-bromo-2-methoxypyridine-4-carboxylic acid
InChI	InChI=1S/C7H6BrNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3H,1H3,(H,10,11)
InChI Key	JZBHBRMXZANNNF-UHFFFAOYSA-N
MDL Number	MFCD07375111
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	O=C(O)C1=C(Br)C=NC(OC)=C1
Synonyms	5-bromo-2-methoxyisonicotinic acid, 886365-22-6, 5-BROMO-2-METHOXY-ISONICOTINIC ACID, 5-BROMO-2-METHOXYPYRIDINE-4-CARBOXYLIC ACID, 5-BROMO-2-METHOXY-4-PYRIDINECARBOXYLIC ACID, SCHEMBL14916430, CTK5G1006, DTXSID40723024, ABBYPHARMA AP-11-5894, CS-D0457, MFCD07375111, ZINC71864172, AKOS016011201, AB41196, BC005286, AJ-118891, ST24044447, Z1007, Q-8264, C7H6BrNO3, 5-Bromo-2-methoxyisonicotinicacid,

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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number