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17826-05-0 | 1H-Indole-2,3-dione, 5,6-dibromo-
CAS No: 17826-05-0 Catalog No: AG0025W8 MDL No:MFCD18449592
Product Description
Catalog Number:
AG0025W8
Chemical Name:
1H-Indole-2,3-dione, 5,6-dibromo-
CAS Number:
17826-05-0
Molecular Formula:
C8H3Br2NO2
Molecular Weight:
304.9229
MDL Number:
MFCD18449592
IUPAC Name:
5,6-dibromo-1H-indole-2,3-dione
InChI:
InChI=1S/C8H3Br2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
InChI Key:
BHIYOAMJNNOSLP-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(c(c2)Br)Br
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.851g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.925g/mol
Monoisotopic Mass:
302.853g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| QSAR study of isatin analogues as in vitro anti-cancer agents. | European journal of medicinal chemistry 20100301 |
| In vitro cytotoxicity evaluation of some substituted isatin derivatives. | Bioorganic & medicinal chemistry 20070115 |
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