AG000KAQ

1233026-31-7 | Pyrimidine, 2-chloro-4-(methylsulfonyl)-

AG000KAQ

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CAS Number	1233026-31-7
Catalog Number	AG000KAQ(AGN-PC-02JUQL)
Chemical Name	Pyrimidine, 2-chloro-4-(methylsulfonyl)-
IUPAC Name	2-chloro-4-methylsulfonylpyrimidine
InChI	InChI=1S/C5H5ClN2O2S/c1-11(9,10)4-2-3-7-5(6)8-4/h2-3H,1H3
InChI Key	YJIANTUNRFFGOK-UHFFFAOYSA-N
MDL Number	MFCD16659665
Molecular Formula	C5H5ClN2O2S
Molecular Weight	192.6234
SMILES	O=S(C1=NC(Cl)=NC=C1)(C)=O
Synonyms	2-chloro-4-(methylsulfonyl)pyrimidine, 1233026-31-7, AK-37306, 2-Chloro-4-(methanesulfonyl)pyrimidine, SCHEMBL2018052, CTK8C4972, KS-00000HSW, DTXSID70599754, YJIANTUNRFFGOK-UHFFFAOYSA-N, 2-chloro-4-methanesulfonylpyrimidine, 4454AA, ANW-73645, MFCD16659665, ZINC63772348, AKOS015892491, CS-W021647, FCH1135196, DA-13968, DS-13258, Pyrimidine, 2-chloro-4-(methylsulfonyl)-, AJ-114484, AX8160979, ST2404311, TC-071582, 4CH-016799, FT-0715392, J3.650.216I, I03-0528, C5H5ClN2O2S, ACN-034561, ACN-034635,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.976g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.617g/mol
Monoisotopic Mass	191.976g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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

Lot Number