AG000I53

1190862-72-6 | 3-Pyridinecarboxylic acid, 5-bromo-6-methyl-

AG000I53

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CAS Number	1190862-72-6
Catalog Number	AG000I53(AGN-PC-0C16N7)
Chemical Name	3-Pyridinecarboxylic acid, 5-bromo-6-methyl-
IUPAC Name	5-bromo-6-methylpyridine-3-carboxylic acid
InChI	InChI=1S/C7H6BrNO2/c1-4-6(8)2-5(3-9-4)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key	FYZSBHFDCHGDER-UHFFFAOYSA-N
MDL Number	MFCD18257500
Molecular Formula	C7H6BrNO2
Molecular Weight	216.0320
SMILES	BrC=1C(=NC=C(C(=O)O)C1)C
Synonyms	5-Bromo-6-methylnicotinic acid, 1190862-72-6, 5-Bromo-6-methyl-nicotinic acid, 5-BroMo-6-Methylnicotinicacid, 5-BROMO-6-METHYLPYRIDINE-3-CARBOXYLIC ACID, SCHEMBL1233307, DTXSID40727885, FYZSBHFDCHGDER-UHFFFAOYSA-N, CS-D0307, 3254AA, CB0235, CL0343, MFCD18257500, ZINC76645315, AKOS016011194, AB74944, AK122031, AS-45943, DA-18112, SC-51666, AB0087321, AJ-122186, 4CH-004651, FT-0745226, ST24044511, 3-Pyridinecarboxylic acid, 5-bromo-6-methyl-, Z-6483, 5-BROMO-6-METHYLPYRIDIN-3-CARBOXYLIC ACID, C7H6BrNO2,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.958g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.034g/mol
Monoisotopic Mass	214.958g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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