AG00IARR

6090-38-6 | Pyrimidine, 5-fluoro-2-(methylsulfonyl)-

AG00IARR

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CAS Number	6090-38-6
Catalog Number	AG00IARR(AGN-PC-0JSZY6)
Chemical Name	Pyrimidine, 5-fluoro-2-(methylsulfonyl)-
IUPAC Name	5-fluoro-2-methylsulfonylpyrimidine
InChI	InChI=1S/C5H5FN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,1H3
InChI Key	CGZXTNCFCUZUBZ-UHFFFAOYSA-N
MDL Number	MFCD00223684
Molecular Formula	C5H5FN2O2S
Molecular Weight	176.1688
SMILES	O=S(C1=NC=C(F)C=N1)(C)=O
Synonyms	5-Fluoro-2-(methylsulfonyl)pyrimidine, 6090-38-6, 5-Fluoro-2-methylsulfonylpyrimidine, CGZXTNCFCUZUBZ-UHFFFAOYSA-N, AK143578, Pyrimidine, 5-fluoro-2-(methylsulfonyl)-, AC1LBY9V, SCHEMBL7043547, CTK7C2744, KS-00000RZL, DTXSID70340667, 2-methylsulfonyl-5-fluoropyrimidine, ZINC4566579, 2-methanesulfonyl-5-fluoropyrimidine, MFCD00223684, AKOS022176297, DS-7693, FCH2485450, 5-fluoro-2-(methylsulfonyl) pyrimidine, AJ-51685, AX8282827, CID566379,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.006g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.165g/mol
Monoisotopic Mass	176.006g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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