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29555-25-7 | Methanone, 2-benzofuranyl(4-bromophenyl)-
CAS No: 29555-25-7 Catalog No: AG002YQB MDL No:
Product Description
Catalog Number:
AG002YQB
Chemical Name:
Methanone, 2-benzofuranyl(4-bromophenyl)-
CAS Number:
29555-25-7
Molecular Formula:
C15H9BrO2
Molecular Weight:
301.1348
IUPAC Name:
1-benzofuran-2-yl-(4-bromophenyl)methanone
InChI:
InChI=1S/C15H9BrO2/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9H
InChI Key:
SBSLXDAOHXKKNK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1cc2c(o1)cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.979g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.139g/mol
Monoisotopic Mass:
299.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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