AG00260I

178421-22-2 | 2-Pyridinecarboxylic acid, 6-chloro-5-methyl-, methyl ester

AG00260I

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CAS Number	178421-22-2
Catalog Number	AG00260I(AGN-PC-01UCTI)
Chemical Name	2-Pyridinecarboxylic acid, 6-chloro-5-methyl-, methyl ester
IUPAC Name	methyl 6-chloro-5-methylpyridine-2-carboxylate
InChI	InChI=1S/C8H8ClNO2/c1-5-3-4-6(8(11)12-2)10-7(5)9/h3-4H,1-2H3
InChI Key	AMIHCSRDGRJMTO-UHFFFAOYSA-N
MDL Number	MFCD18255502
Molecular Formula	C8H8ClNO2
Molecular Weight	185.6076
SMILES	O=C(OC)C1=NC(Cl)=C(C)C=C1
Synonyms	Methyl 6-chloro-5-methylpicolinate, 178421-22-2, methyl 6-chloro-5-methylpyridine-2-carboxylate, AK-88627, 6-chloro-5-methyl-pyridine-2-carboxylic acid methyl ester, SCHEMBL2255434, CTK8B4673, KS-00000PTQ, DTXSID00592798, AMIHCSRDGRJMTO-UHFFFAOYSA-N, ANW-45858, MFCD18255502, ZINC77028609, AKOS015998905, CS-W022878, FCH1158393, GS-3772, MP-0949, AB0022926, AJ-122455, AX8227272, TC-134603, 4CH-011560, ST24025454, W3889, methyl 6-chloro-5-methyl-2-pyridinecarboxylate, 2-Pyridinecarboxylic acid, 6-chloro-5-methyl-, methyl ester, C8H8ClNO2, Methyl6-chloro-5-methylpicolinate,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.024g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.607g/mol
Monoisotopic Mass	185.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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