AG00DHXQ

54718-39-7 | 2,5,6-Trichloronicotinic acid

AG00DHXQ

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CAS Number	54718-39-7
Catalog Number	AG00DHXQ(AGN-PC-0L6WW9)
Chemical Name	2,5,6-Trichloronicotinic acid
IUPAC Name	2,5,6-trichloropyridine-3-carboxylic acid
InChI	InChI=1S/C6H2Cl3NO2/c7-3-1-2(6(11)12)4(8)10-5(3)9/h1H,(H,11,12)
InChI Key	XMJRZCYSCMZVJQ-UHFFFAOYSA-N
MDL Number	MFCD02070018
Molecular Formula	C6H2Cl3NO2
Molecular Weight	226.4446
SMILES	OC(=O)C1=CC(Cl)=C(Cl)N=C1Cl
Synonyms	2,5,6-trichloronicotinic acid, 54718-39-7, 2,5,6-trichloropyridine-3-carboxylic Acid, 2,5,6-Trichloro-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 2,5,6-trichloro-, AK-80695, AC1N563D, SCHEMBL2566963, CTK8C2283, KS-00000QHP, DTXSID50400571, XMJRZCYSCMZVJQ-UHFFFAOYSA-N, ZINC5943587, ANW-68140, MFCD02070018, AKOS016007169, CS-W019671, FCH1333868, MCULE-5980246064, AC-27227, AJ-55286, AN-40459, AS-20076, SC-91191, AB0056750, AX8236969, TC-156885, 3-Pyridinecarboxylic acid,2,5,6-trichloro-, 4CH-012008, FT-0688472, ST24021529, Z4869, M-9285, T-6380, 718T397, AJ-333/09217028, C6H2Cl3NO2, ACN-056425, CID4190038,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number