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562823-84-1 | 3-(4-IODO-PHENYL)-1-(4'-BORANYL-PHENYL)-PROP-2-ENONE
CAS No: 562823-84-1 Catalog No: AG00DAIM MDL No:
Product Description
Catalog Number:
AG00DAIM
Chemical Name:
3-(4-IODO-PHENYL)-1-(4'-BORANYL-PHENYL)-PROP-2-ENONE
CAS Number:
562823-84-1
Molecular Formula:
C15H12BIO3
Molecular Weight:
377.9694
IUPAC Name:
[4-[(E)-3-(4-iodophenyl)prop-2-enoyl]phenyl]boronic acid
InChI:
InChI=1S/C15H12BIO3/c17-14-8-1-11(2-9-14)3-10-15(18)12-4-6-13(7-5-12)16(19)20/h1-10,19-20H/b10-3+
InChI Key:
BYMGWCQXSPGCMW-XCVCLJGOSA-N
SMILES:
Ic1ccc(cc1)/C=C/C(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
377.992g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.972g/mol
Monoisotopic Mass:
377.992g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and evaluation of novel boronic-chalcone derivatives as antitumor agents. | Journal of medicinal chemistry 20030703 |
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