Free Chemical Databases
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[Synonyms]
NSC167215
89856-87-1
[Structure]
[ Properties Computed from Structure]
Molecular Weight 144.59876 [g/mol] Molecular Formula C7H9ClO XLogP 0.9 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 0 Tautomer Count 2 Exact Mass 144.034193 MonoIsotopic Mass 144.034193 Topological Polar Surface Area 17.1 Heavy Atom Count 9 Formal Charge 0 Complexity 155 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 3 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 7-chlorobicyclo[2.2.1]heptan-3-one
Canonical SMILES: C1CC2C(C1CC2=O)Cl
InChI: InChI=1/C7H9ClO/c8-7-4-1-2-5(7)6(9)3-4/h4-5,7H,1-3H2
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