AG004P8W

853029-93-3 | 4-​Pyridinecarboxylic acid, 2-​bromo-​6-​methoxy-

AG004P8W

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CAS Number	853029-93-3
Catalog Number	AG004P8W(AGN-PC-0092LL)
Chemical Name	4-​Pyridinecarboxylic acid, 2-​bromo-​6-​methoxy-
IUPAC Name	2-bromo-6-methoxypyridine-4-carboxylic acid
InChI	InChI=1S/C7H6BrNO3/c1-12-6-3-4(7(10)11)2-5(8)9-6/h2-3H,1H3,(H,10,11)
InChI Key	MSWQBBSWODQKLQ-UHFFFAOYSA-N
MDL Number	MFCD11101033
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	C(=O)(O)c1cc(OC)nc(c1)Br
Synonyms	2-Bromo-6-methoxyisonicotinic acid, 853029-93-3, 2-BROMO-6-METHOXY-4-PYRIDINECARBOXYLIC ACID, AK-55005, 4-PYRIDINECARBOXYLIC ACID, 2-BROMO-6-METHOXY-, SCHEMBL1291177, CTK5F4730, KS-00000OZW, DTXSID90465826, MSWQBBSWODQKLQ-UHFFFAOYSA-N, 2-bromo-6-methoxy-isonicotinic acid, ANW-66381, MFCD11101033, ZINC67176112, AKOS015994862, AB63173, CS-W006872, FCH1402369, RP27987, DA-02668, OR345428, AJ-116945, AX8216540, ST2416614, TX-011740, 2-bromo-6-methoxypyridine-4-carboxylic acid, 4CH-016081, W-4372, J-508472, 2-Bromo-6-methoxyisonicotinicacid, CID11436185, 2-bromo-6-methoxy-pyridine-4-carboxylic Acid,

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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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