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22966-11-6 | 2-Propen-1-one, 3-(2-chlorophenyl)-1-phenyl-, (2E)-
CAS No: 22966-11-6 Catalog No: AG002LQ2 MDL No:MFCD00018310
Product Description
Catalog Number:
AG002LQ2
Chemical Name:
2-Propen-1-one, 3-(2-chlorophenyl)-1-phenyl-, (2E)-
CAS Number:
22966-11-6
Molecular Formula:
C15H11ClO
Molecular Weight:
242.7002
MDL Number:
MFCD00018310
IUPAC Name:
(E)-3-(2-chlorophenyl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C15H11ClO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11H/b11-10+
InChI Key:
IGSYOTSSTZUGIA-ZHACJKMWSA-N
SMILES:
O=C(c1ccccc1)/C=C/c1ccccc1Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
242.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.702g/mol
Monoisotopic Mass:
242.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Investigation of chalcones and benzochalcones as inhibitors of breast cancer resistance protein. | Bioorganic & medicinal chemistry 20120101 |
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