AG007M7R

25742-28-3 | Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate

AG007M7R

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CAS Number	25742-28-3
Catalog Number	AG007M7R(AGN-PC-0JOFH1)
Chemical Name	Methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate
IUPAC Name	methyl 6-chloro-2-methylsulfonylpyrimidine-4-carboxylate
InChI	InChI=1S/C7H7ClN2O4S/c1-14-6(11)4-3-5(8)10-7(9-4)15(2,12)13/h3H,1-2H3
InChI Key	FSQBCNBFHWRUGG-UHFFFAOYSA-N
MDL Number	MFCD16660533
Molecular Formula	C7H7ClN2O4S
Molecular Weight	250.6595
NSC Number	46806
SMILES	C(=O)(OC)c1nc(S(=O)(=O)C)nc(c1)Cl
Synonyms	methyl 6-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate, 25742-28-3, NSC46806, AK164388, methyl 6-chloro-2-methylsulfonylpyrimidine-4-carboxylate, AC1Q6UTB, AC1L65EF, SCHEMBL9626967, CTK4F6364, DTXSID80286648, ZINC1678922, MFCD16660533, NSC-46806, AKOS025146472, DS-8569, ST24048043, 4-Pyrimidinecarboxylicacid, 6-chloro-2-(methylsulfonyl)-, methyl ester, AR-1J5618, CID240532, 31164-08-6,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.982g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.653g/mol
Monoisotopic Mass	249.982g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	94.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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