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Home Halogens 3-Acetyl-6-bromocoumarin

3-Acetyl-6-bromocoumarin

CAS No.:
2199-93-1
Catalog Number:
AG007OGE
Molecular Formula:
C11H7BrO3
Molecular Weight:
267.0755
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$57
- +
25g
98%
In Stock USA
United States
$119
- +
Product Description
Catalog Number:
AG007OGE
Chemical Name:
3-Acetyl-6-bromocoumarin
CAS Number:
2199-93-1
Molecular Formula:
C11H7BrO3
Molecular Weight:
267.0755
MDL Number:
MFCD00024075
IUPAC Name:
3-acetyl-6-bromochromen-2-one
InChI:
InChI=1S/C11H7BrO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3
InChI Key:
XFQYOFLFNKCHLG-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(c(=O)o2)C(=O)C
NSC Number:
201515
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.958g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.078g/mol
Monoisotopic Mass:
265.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives. European journal of medicinal chemistry 20111001
Synthesis and biological evaluation of (6- and 7-phenyl) coumarin derivatives as selective nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1. Journal of medicinal chemistry 20110113
Vibrational and ab initio studies of 3-acetyl-6-bromocoumarin and 3-acetyl-6-methylcoumarin. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20101201
4-Bromo-methyl-6-meth-oxy-2H-chromen-2-one. Acta crystallographica. Section E, Structure reports online 20101101
alpha-Glucosidase inhibitory antihyperglycemic activity of substituted chromenone derivatives. Bioorganic & medicinal chemistry 20100101
Properties