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Home Other Building Blocks 4-Bromoisatin

4-Bromoisatin

CAS No.:
20780-72-7
Catalog Number:
AG002JAS
Molecular Formula:
C8H4BrNO2
Molecular Weight:
226.0269
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$19
- +
25g
96%
In Stock USA
United States
$60
- +
100g
96%
In Stock USA
United States
$163
- +
Product Description
Catalog Number:
AG002JAS
Chemical Name:
4-Bromoisatin
CAS Number:
20780-72-7
Molecular Formula:
C8H4BrNO2
Molecular Weight:
226.0269
MDL Number:
MFCD03618555
IUPAC Name:
4-bromo-1H-indole-2,3-dione
InChI:
InChI=1S/C8H4BrNO2/c9-4-2-1-3-5-6(4)7(11)8(12)10-5/h1-3H,(H,10,11,12)
InChI Key:
ITRAKBJPMLKWIW-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)c(Br)ccc2
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.943g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.029g/mol
Monoisotopic Mass:
224.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
QSAR study of isatin analogues as in vitro anti-cancer agents. European journal of medicinal chemistry 20100301
2-Amino-4'-bromo-2',5-dioxo-4H,5H-pyrano[3,2-c]chromene-4-spiro-3'(2'H)-1'H-indole-3-carbonitrile N,N-dimethyl-formamide solvate. Acta crystallographica. Section E, Structure reports online 20080601
Biological targets for isatin and its analogues: Implications for therapy. Biologics : targets & therapy 20070601
In vitro cytotoxicity evaluation of some substituted isatin derivatives. Bioorganic & medicinal chemistry 20070115
Properties