Free Chemical Databases
-
[Synonyms]
NSC116591
AIDS126576
AIDS-126576
NSC 116591
3-(4-Chlorophenyl)-2-cyclohexyl-1,2-oxaziridine
23898-55-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 237.72524 [g/mol] Molecular Formula C13H16ClNO XLogP 4 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 2 Exact Mass 237.092042 MonoIsotopic Mass 237.092042 Topological Polar Surface Area 15.5 Heavy Atom Count 16 Formal Charge 0 Complexity 234 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-(4-chlorophenyl)-2-cyclohexyloxaziridine
Canonical SMILES: C1CCC(CC1)N2C(O2)C3=CC=C(C=C3)Cl
InChI: InChI=1/C13H16ClNO/c14-11-8-6-10(7-9-11)13-15(16-13)12-4-2-1-3-5-12/h6-
9,12-13H,1-5H2
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