AG003FMW

69422-72-6 | 2,4,6-Trichloronicotinic acid

AG003FMW

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CAS Number	69422-72-6
Catalog Number	AG003FMW(AGN-PC-023AHW)
Chemical Name	2,4,6-Trichloronicotinic acid
IUPAC Name	2,4,6-trichloropyridine-3-carboxylic acid
InChI	InChI=1S/C6H2Cl3NO2/c7-2-1-3(8)10-5(9)4(2)6(11)12/h1H,(H,11,12)
InChI Key	XORBTGOVTLGEOU-UHFFFAOYSA-N
MDL Number	MFCD09038102
Molecular Formula	C6H2Cl3NO2
Molecular Weight	226.4446
SMILES	O=C(O)C1=C(Cl)N=C(Cl)C=C1Cl
Synonyms	69422-72-6, 2,4,6-TRICHLORONICOTINIC ACID, 2,4,6-TRICHLOROPYRIDINE-3-CARBOXYLIC ACID, 3-Pyridinecarboxylic acid, 2,4,6-trichloro-, SCHEMBL894222, CTK2F2745, KS-00000CEP, DTXSID00596978, XORBTGOVTLGEOU-UHFFFAOYSA-N, 0721AC, MFCD09038102, ZINC42684233, AKOS015902719, AC-3179, MCULE-1514158523, SB21172, TRA0049410, AK-82835, AN-13210, DS-16940, SC-27579, SY004335, 2,4,6-Trichloropyridine-3-carboxylicAcid, 3-Pyridinecarboxylicacid,2,4,6-trichloro-, AB0056799, AB1000082, AJ-104472, DB-082208, TC-306904, 3-Pyridinecarboxylicacid, 2,4,6-trichloro-, FT-0756656, MFCD09038102 (97%), Z-3837, I14-20211, Z1815157328, null, C6H2Cl3NO2, 2,4,6-TRICHLORONICOTINICACID, 121263-10-3,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.915g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.437g/mol
Monoisotopic Mass	224.915g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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