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122750-24-7 | 1H-Indole-2,3-dione, 4-chloro-1-methyl-
CAS No: 122750-24-7 Catalog No: AG000JA8 MDL No:
Product Description
Catalog Number:
AG000JA8
Chemical Name:
1H-Indole-2,3-dione, 4-chloro-1-methyl-
CAS Number:
122750-24-7
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
IUPAC Name:
4-chloro-1-methylindole-2,3-dione
InChI:
InChI=1S/C9H6ClNO2/c1-11-6-4-2-3-5(10)7(6)8(12)9(11)13/h2-4H,1H3
InChI Key:
UUJAPGNVDLZZLH-UHFFFAOYSA-N
SMILES:
CN1c2cccc(c2C(=O)C1=O)Cl
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:
0
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| 4-Chloro-1-methyl-indoline-2,3-dione. | Acta crystallographica. Section E, Structure reports online 20120101 |
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