AG000SMW

1263314-16-4 | 4,6-Dichloro-5-ethyl-2-(methylsulfonyl)pyrimidine

AG000SMW

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CAS Number	1263314-16-4
Catalog Number	AG000SMW(AGN-PC-0WAHEG)
Chemical Name	4,6-Dichloro-5-ethyl-2-(methylsulfonyl)pyrimidine
IUPAC Name	4,6-dichloro-5-ethyl-2-methylsulfonylpyrimidine
InChI	InChI=1S/C7H8Cl2N2O2S/c1-3-4-5(8)10-7(11-6(4)9)14(2,12)13/h3H2,1-2H3
InChI Key	GHQHLNPDZLZVLB-UHFFFAOYSA-N
MDL Number	MFCD11846228
Molecular Formula	C7H8Cl2N2O2S
Molecular Weight	255.1216
SMILES	O=S(C1=NC(Cl)=C(CC)C(Cl)=N1)(C)=O
Synonyms	4,6-dichloro-5-ethyl-2-(methylsulfonyl)pyrimidine, 1263314-16-4, 4,6-bis(chloranyl)-5-ethyl-2-methylsulfonyl-pyrimidine, C7H8Cl2N2O2S, 4,6-Dichloro-5-ethyl-2-(methanesulfonyl)pyrimidine, SCHEMBL15747526, DTXSID80744854, MFCD11846228, ZINC71783743, DS-6757, FCH1406249, AK122869, AJ-118497, AX8247047, Y3216, 2-Methylsulfonyl-4,6-dichloro-5-ethylpyrimidine, Pyrimidine, 4,6-dichloro-5-ethyl-2-(methylsulfonyl)-,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.968g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.113g/mol
Monoisotopic Mass	253.968g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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