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Home > Fluorides > 127183-38-4
127183-38-4 | 3(4H)-Pyridinone, 2-[(3,3,3-trifluoro-2-oxopropyl)thio]-
CAS No: 127183-38-4 Catalog No: AG000WR2 MDL No:
Product Description
Catalog Number:
AG000WR2
Chemical Name:
3(4H)-Pyridinone, 2-[(3,3,3-trifluoro-2-oxopropyl)thio]-
CAS Number:
127183-38-4
Molecular Formula:
C8H6F3NO2S
Molecular Weight:
237.1989
IUPAC Name:
2-(3,3,3-trifluoro-2-oxopropyl)sulfanyl-4H-pyridin-3-one
InChI:
InChI=1S/C8H6F3NO2S/c9-8(10,11)6(14)4-15-7-5(13)2-1-3-12-7/h1,3H,2,4H2
InChI Key:
IOOFUSIBHGGPEM-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)CSC1=NC=CCC1=O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.196g/mol
Monoisotopic Mass:
237.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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