Free Chemical Databases
-
[Synonyms]
NSC92151
13908-88-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 149.123623 [g/mol] Molecular Formula C4H8FN3O2 XLogP 0.6 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 2 Tautomer Count 2 Exact Mass 149.060055 MonoIsotopic Mass 149.060055 Topological Polar Surface Area 61.8 Heavy Atom Count 10 Formal Charge 0 Complexity 130 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: 3-(2-fluoroethyl)-1-methyl-1-nitrosourea
Canonical SMILES: CN(C(=O)NCCF)N=O
InChI: InChI=1/C4H8FN3O2/c1-8(7-10)4(9)6-3-2-5/h2-3H2,1H3,(H,6,9)/f/h6H
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