| CAS Number | 298221-52-0 |
| Catalog Number | AG01A02U(AGN-PC-0WODLE) |
| Chemical Name | 7-chloro-4-methyl-2,3-dihydro-1H-indole-2,3-dione |
| IUPAC Name | 7-chloro-4-methyl-1H-indole-2,3-dione |
| InChI | InChI=1S/C9H6ClNO2/c1-4-2-3-5(10)7-6(4)8(12)9(13)11-7/h2-3H,1H3,(H,11,12,13) |
| InChI Key | ZEUWWCOQJNSGCH-UHFFFAOYSA-N |
| MDL Number | MFCD22375424 |
| Molecular Formula | C9H6ClNO2 |
| Molecular Weight | 195.6024 |
| SMILES | CC1=C2C(NC(C2=O)=O)=C(Cl)C=C1 |
| Synonyms | 7-chloro-4-methyl-2,3-dihydro-1H-indole-2,3-dione,
298221-52-0,
1H-Indole-2,3-dione, 7-chloro-4-methyl-,
ZINC75772383,
AKOS026730453,
MCULE-3466960847,
NE16890,
RP25394,
|
| 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 |
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Certificate of Analysis
Lot Number