AG000OC9

1256789-55-5 | 4-Pyridinecarboxylic acid, 2-bromo-5-methoxy-

AG000OC9

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CAS Number	1256789-55-5
Catalog Number	AG000OC9(AGN-PC-0JF3YJ)
Chemical Name	4-Pyridinecarboxylic acid, 2-bromo-5-methoxy-
IUPAC Name	2-bromo-5-methoxypyridine-4-carboxylic acid
InChI	InChI=1S/C7H6BrNO3/c1-12-5-3-9-6(8)2-4(5)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key	FDIGCHSSJWSPEW-UHFFFAOYSA-N
MDL Number	MFCD18257535
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	O=C(O)C1=C(OC)C=NC(Br)=C1
Synonyms	2-Bromo-5-methoxyisonicotinic acid, 1256789-55-5, SCHEMBL16333723, DTXSID40855798, FDIGCHSSJWSPEW-UHFFFAOYSA-N, 4831AA, MFCD18257535, ZINC91297141, AB74945, DS-6138, FCH1365642, AK119928, AJ-129302, AX8245344, 4-Pyridinecarboxylic acid, 2-bromo-5-methoxy-, 2-BROMO-5-METHOXYPYRIDINE-4-CARBOXYLIC ACID, C7H6BrNO3, 2-Bromo-5-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
UN Code

Certificate of Analysis

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