AG003MHJ

54916-66-4 | 5-Bromo-2-methoxy-nicotinic acid

AG003MHJ

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CAS Number	54916-66-4
Catalog Number	AG003MHJ(AGN-PC-0017H9)
Chemical Name	5-Bromo-2-methoxy-nicotinic acid
IUPAC Name	5-bromo-2-methoxypyridine-3-carboxylic acid
InChI	InChI=1S/C7H6BrNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3H,1H3,(H,10,11)
InChI Key	SJLXURQPRRMPIV-UHFFFAOYSA-N
MDL Number	MFCD06656771
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	BrC1=CC(=C(N=C1)OC)C(=O)O
Synonyms	5-Bromo-2-methoxynicotinic acid, 54916-66-4, 5-Bromo-2-methoxy-nicotinic acid, 5-bromo-2-methoxypyridine-3-carboxylic acid, 5-bromo-2-methoxynicotinicacid, MFCD06656771, 3-PYRIDINECARBOXYLIC ACID, 5-BROMO-2-METHOXY-, 5-BROMO-2-METHOXY-3-PYRIDINECARBOXYLIC ACID, PubChem16564, ACMC-209lk6, AC1Q44QW, KSC269A1R, SCHEMBL316314, CTK1G9018, KS-00000CKB, DTXSID20559520, SJLXURQPRRMPIV-UHFFFAOYSA-N, ABBYPHARMA AP-11-5891, ACT04505, CS-D1068, ZINC4352712, 5-Bromo-3-carboxy-2-methoxypyridine, ANW-32212, BBL103884, CL0219, SBB052918, STL557694, AKOS005257697, LS20039, MCULE-9085133579, PB10367, PS-6212, RP05579, RP27993, RTR-019393, TRA0048749, AC-23246, AJ-50804, AK-27745, AN-40491, BC004123, BR-27745, SY007635, AB0008677, AB1000999, DB-002053, ST2411804, TR-019393, 4CH-014178, AM20070196, FT-0082654, FT-0640280, ST50408690, 3-Pyridinecarboxylicacid, 5-bromo-2-methoxy-, 5-bromo-2-methoxy-pyridine-3-carboxylic acid, A-6517, MFCD06656771 (97+%), 916B664, 5-Bromo-2-methoxypyridine-3-carboxylic acid, 97%, J-516962, I14-17521, C7H6BrNO3, ACN-050147, 5-BROMO-2-METHOXY-NICOTINICACID, 5-Bromo-2-methoxynicotinic acid, 97% 1g, A7971, 5-Bromo-2-methoxynicotinic acid, 98% - 1G 1g,

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

Lot Number