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1218-80-0 | 4H-1-Benzopyran-4-one, 6-bromo-2-phenyl-
CAS No: 1218-80-0 Catalog No: AG00161Z MDL No:MFCD00276169
Product Description
Catalog Number:
AG00161Z
Chemical Name:
4H-1-Benzopyran-4-one, 6-bromo-2-phenyl-
CAS Number:
1218-80-0
Molecular Formula:
C15H9BrO2
Molecular Weight:
301.1348
MDL Number:
MFCD00276169
IUPAC Name:
6-bromo-2-phenylchromen-4-one
InChI:
InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
InChI Key:
LPOZDKMXSPAATL-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)cc(o2)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 |
|---|---|
| Effects of flavone 6-substitutions on GABAA receptors efficacy. | European journal of pharmacology 20111116 |
| QSAR modeling of the interaction of flavonoids with GABA(A) receptor. | European journal of medicinal chemistry 20080801 |
| Microwave-assisted synthesis and antimicrobial activities of flavonoid derivatives. | Bioorganic & medicinal chemistry letters 20080115 |
| Antitumor activity of some natural flavonoids and synthetic derivatives on various human and murine cancer cell lines. | Bioorganic & medicinal chemistry 20060501 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Chalcones and flavonoids as anti-tuberculosis agents. | Bioorganic & medicinal chemistry 20020801 |
| 3D-QSAR model of flavonoids binding at benzodiazepine site in GABAA receptors. | Journal of medicinal chemistry 20010607 |
| Structure-activity relationships and molecular modeling analysis of flavonoids binding to the benzodiazepine site of the rat brain GABA(A) receptor complex. | Journal of medicinal chemistry 19991021 |
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