Free Chemical Databases
-
[Synonyms]
NSC219870
[Structure]
[ Properties Computed from Structure]
Molecular Weight 237.126176 [g/mol] Molecular Formula C9H4F5NO XLogP 2.2 H-Bond Donor 0 H-Bond Acceptor 6 Rotatable Bond Count 1 Exact Mass 237.021305 MonoIsotopic Mass 237.021305 Topological Polar Surface Area 20.1 Heavy Atom Count 16 Formal Charge 0 Complexity 282 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: aziridin-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
Canonical SMILES: C1CN1C(=O)C2=C(C(=C(C(=C2F)F)F)F)F
InChI: InChI=1/C9H4F5NO/c10-4-3(9(16)15-1-2-15)5(11)7(13)8(14)6(4)12/h1-2H2
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