AG005R7P

68359-07-9 | 5-Chloro-2-ethoxynicotinic acid

AG005R7P

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CAS Number	68359-07-9
Catalog Number	AG005R7P(AGN-PC-0LPWQ8)
Chemical Name	5-Chloro-2-ethoxynicotinic acid
IUPAC Name	5-chloro-2-ethoxypyridine-3-carboxylic acid
InChI	InChI=1S/C8H8ClNO3/c1-2-13-7-6(8(11)12)3-5(9)4-10-7/h3-4H,2H2,1H3,(H,11,12)
InChI Key	DTIBPOFHVJBUSH-UHFFFAOYSA-N
MDL Number	MFCD07403147
Molecular Formula	C8H8ClNO3
Molecular Weight	201.6070
SMILES	C(=O)(O)c1c(OCC)ncc(c1)Cl
Synonyms	5-Chloro-2-ethoxynicotinic acid, 68359-07-9, 5-chloro-2-ethoxypyridine-3-carboxylic acid, 5-Chloro-2-ethoxy-nicotinic acid, AC1NSLKL, ASN 14583729, SCHEMBL11463145, CTK5C7856, DTXSID20415536, ZINC4988649, 0547AC, ANW-71731, MFCD07403147, SBB013801, STK689357, AKOS000302527, AS-8347, MCULE-3307315662, AJ-52785, AK-76759, ST091807, DB-074014, TR-056566, TX-017187, 5-chloro-2-ethoxy-3-pyridinecarboxylic acid, CS-0045048, FT-0764836, BRD-K47144149-001-01-6, A4142/0176504, C8H8ClNO3, CID5311904,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.019g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.606g/mol
Monoisotopic Mass	201.019g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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