AG00CLM2

42959-40-0 | 2-CHLORO-5-HYDROXYNICOTINIC ACID

AG00CLM2

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CAS Number	42959-40-0
Catalog Number	AG00CLM2(AGN-PC-00KG09)
Chemical Name	2-CHLORO-5-HYDROXYNICOTINIC ACID
IUPAC Name	2-chloro-5-hydroxypyridine-3-carboxylic acid
InChI	InChI=1S/C6H4ClNO3/c7-5-4(6(10)11)1-3(9)2-8-5/h1-2,9H,(H,10,11)
InChI Key	OKIASDFNVMJNDT-UHFFFAOYSA-N
MDL Number	MFCD09757509
Molecular Formula	C6H4ClNO3
Molecular Weight	173.5539
SMILES	O=C(O)C1=C(Cl)N=CC(O)=C1
Synonyms	2-CHLORO-5-HYDROXYNICOTINIC ACID, 42959-40-0, AK112903, 2-CHLORO-5-HYDROXYPYRIDINE-3-CARBOXYLIC ACID, SCHEMBL4719997, CTK1D5161, KS-00000MYK, DTXSID70514962, 5941AB, MFCD09757509, ZINC38531938, AKOS016009880, DS-6060, FCH1154761, AJ-95588, SC-48940, AX8073190, ST24040373, 3-Pyridinecarboxylicacid, 2-chloro-5-hydroxy-, C6H4ClNO3, 2-Chloro-5-hydroxynicotinicacid,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.988g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	173.552g/mol
Monoisotopic Mass	172.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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

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