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14389-06-1 | 1H-Indole-2,3-dione, 5-chloro-7-methyl-
CAS No: 14389-06-1 Catalog No: AG001ILB MDL No:MFCD00047218
Product Description
Catalog Number:
AG001ILB
Chemical Name:
1H-Indole-2,3-dione, 5-chloro-7-methyl-
CAS Number:
14389-06-1
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD00047218
IUPAC Name:
5-chloro-7-methyl-1H-indole-2,3-dione
InChI:
InChI=1S/C9H6ClNO2/c1-4-2-5(10)3-6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
InChI Key:
LDFQLYHDZZPAGN-UHFFFAOYSA-N
SMILES:
Clc1cc(C)c2c(c1)C(=O)C(=O)N2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.009g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Chemical synthesis, in vitro acetohydroxyacid synthase (AHAS) inhibition, herbicidal activity, and computational studies of isatin derivatives. | Journal of agricultural and food chemistry 20110928 |
| Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. | Journal of medicinal chemistry 20070419 |
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