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1148-47-6 | 4H-1-Benzopyran-4-one, 7-bromo-2-phenyl-
CAS No: 1148-47-6 Catalog No: AG000F8J MDL No:
Product Description
Catalog Number:
AG000F8J
Chemical Name:
4H-1-Benzopyran-4-one, 7-bromo-2-phenyl-
CAS Number:
1148-47-6
Molecular Formula:
C15H9BrO2
Molecular Weight:
301.1348
IUPAC Name:
7-bromo-2-phenylchromen-4-one
InChI:
InChI=1S/C15H9BrO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9H
InChI Key:
OAVGCTZDWADVIB-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)oc(cc2=O)c1ccccc1
Properties
Complexity:
358
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:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Chalcones and flavonoids as anti-tuberculosis agents. | Bioorganic & medicinal chemistry 20020801 |
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