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1677-48-1 | 1H-Indole-2,3-dione, 5,6-dichloro-
CAS No: 1677-48-1 Catalog No: AG001XJM MDL No:MFCD06797894
Product Description
Catalog Number:
AG001XJM
Chemical Name:
1H-Indole-2,3-dione, 5,6-dichloro-
CAS Number:
1677-48-1
Molecular Formula:
C8H3Cl2NO2
Molecular Weight:
216.0209
MDL Number:
MFCD06797894
IUPAC Name:
5,6-dichloro-1H-indole-2,3-dione
InChI:
InChI=1S/C8H3Cl2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
InChI Key:
KIFKRDLEAQUAAW-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(c(c2)Cl)Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.954g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.017g/mol
Monoisotopic Mass:
214.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. | Journal of medicinal chemistry 20070419 |
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