AG00FFC4

744253-37-0 | 4-PyriMidinecarboxylic acid, 6-chloro-2-Methyl-, ethyl ester

AG00FFC4

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CAS Number	744253-37-0
Catalog Number	AG00FFC4(AGN-PC-0JF473)
Chemical Name	4-PyriMidinecarboxylic acid, 6-chloro-2-Methyl-, ethyl ester
IUPAC Name	ethyl 6-chloro-2-methylpyrimidine-4-carboxylate
InChI	InChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-4-7(9)11-5(2)10-6/h4H,3H2,1-2H3
InChI Key	BYRWXFDWTJXLBT-UHFFFAOYSA-N
MDL Number	MFCD16987970
Molecular Formula	C8H9ClN2O2
Molecular Weight	200.6223
SMILES	O=C(C1=NC(C)=NC(Cl)=C1)OCC
Synonyms	Ethyl 6-chloro-2-methylpyrimidine-4-carboxylate, 744253-37-0, SCHEMBL2823270, DTXSID50856079, BYRWXFDWTJXLBT-UHFFFAOYSA-N, MFCD16987970, ZINC85391127, AKOS016013520, CS-W006940, CS-13023, AJ-127799, ST2406988, 4CH-003157, Ethyl6-chloro-2-methylpyrimidine-4-carboxylate,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.622g/mol
Monoisotopic Mass	200.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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

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