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Home > Fluorides > 100499-06-7
100499-06-7 | 4(1H)-Pyrimidinone, 6-fluoro-2-(methylthio)-5-(trifluoromethyl)-
CAS No: 100499-06-7 Catalog No: AG00024V MDL No:
Product Description
Catalog Number:
AG00024V
Chemical Name:
4(1H)-Pyrimidinone, 6-fluoro-2-(methylthio)-5-(trifluoromethyl)-
CAS Number:
100499-06-7
Molecular Formula:
C6H4F4N2OS
Molecular Weight:
228.1674
IUPAC Name:
4-fluoro-2-methylsulfanyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H4F4N2OS/c1-14-5-11-3(7)2(4(13)12-5)6(8,9)10/h1H3,(H,11,12,13)
InChI Key:
LAAGLUWWKXWVGN-UHFFFAOYSA-N
SMILES:
CSc1nc(=O)c(c([nH]1)F)C(F)(F)F
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.165g/mol
Monoisotopic Mass:
227.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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