Free Chemical Databases
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[Synonyms]
NCIOpen2_002172
[Structure]
[ Properties Computed from Structure]
Molecular Weight 277.1453 [g/mol] Molecular Formula C15H10Cl2O XLogP 5.1 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 3 Exact Mass 276.01087 MonoIsotopic Mass 276.01087 Topological Polar Surface Area 17.1 Heavy Atom Count 18 Formal Charge 0 Complexity 306 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)Cl)Cl
InChI: InChI=1/C15H10Cl2O/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/
h1-10H
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