CAS 20525-20-6 | 4H-1-Benzopyran-4-one, 2-(4-bromophenyl)- | CAS Number 20525-20-6

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20525-20-6 | 4H-1-Benzopyran-4-one, 2-(4-bromophenyl)-

CAS No: 20525-20-6 Catalog No: AG0029YA MDL No:

Product Description

Catalog Number:

AG0029YA

Chemical Name:

4H-1-Benzopyran-4-one, 2-(4-bromophenyl)-

CAS Number:

20525-20-6

Molecular Formula:

C15H9BrO2

Molecular Weight:

301.1348

IUPAC Name:

2-(4-bromophenyl)chromen-4-one

InChI:

InChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H

InChI Key:

URZUAHXELZUWFE-UHFFFAOYSA-N

SMILES:

Brc1ccc(cc1)c1cc(=O)c2c(o1)cccc2

UNII:

6TC8H54C8T

Properties

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

299.979g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.139g/mol

Monoisotopic Mass:

299.979g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

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Fijiolides A and B, inhibitors of TNF-alpha-induced NFkappaB activation, from a marine-derived sediment bacterium of the genus Nocardiopsis.	Journal of natural products 20100625
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Synthetic chalcones, flavanones, and flavones as antitumoral agents: biological evaluation and structure-activity relationships.	Bioorganic & medicinal chemistry 20070515
Bioactive dammarane triterpenes from the mangrove plant Bruguiera gymnorrhiza.	Journal of natural products 20060301
Quinone reductase induction as a biomarker for cancer chemoprevention.	Journal of natural products 20060301
Nrf2 as a novel molecular target for chemoprevention.	Cancer letters 20050628
Natural inhibitors of carcinogenesis.	Planta medica 20040801
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Discovery of cancer preventive agents from natural products: from plants to prevention.	Current oncology reports 20021101
Substituted flavones as aryl hydrocarbon (Ah) receptor agonists and antagonists.	Biochemical pharmacology 19960426