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80824-85-7 | 2-Propen-1-one, 3-(3-iodophenyl)-1-phenyl-
CAS No: 80824-85-7 Catalog No: AG005IP2 MDL No:
Product Description
Catalog Number:
AG005IP2
Chemical Name:
2-Propen-1-one, 3-(3-iodophenyl)-1-phenyl-
CAS Number:
80824-85-7
Molecular Formula:
C15H11IO
Molecular Weight:
334.1517
IUPAC Name:
3-(3-iodophenyl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C15H11IO/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11H
InChI Key:
NVSMWGAJOJZQAA-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)C=CC(=O)c1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.985g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.156g/mol
Monoisotopic Mass:
333.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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