| CAS Number | 1934755-53-9 |
| Catalog Number | AG01DTS1(AGN-PC-0WGGER) |
| Chemical Name | 5-Chloro-6-methyl-2,3-dihydro-1H-indol-2-one |
| IUPAC Name | 5-chloro-6-methyl-1,3-dihydroindol-2-one |
| InChI | InChI=1S/C9H8ClNO/c1-5-2-8-6(3-7(5)10)4-9(12)11-8/h2-3H,4H2,1H3,(H,11,12) |
| InChI Key | QRFBOSVCMONYCO-UHFFFAOYSA-N |
| MDL Number | MFCD29761702 |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.6189 |
| SMILES | O=C1Nc2c(C1)cc(c(c2)C)Cl |
| Synonyms | 5-Chloro-6-methylindolin-2-one,
5-Chloro-6-methyl-2,3-dihydro-1H-indol-2-one,
1934755-53-9,
ZINC299889906,
FCH4344784,
AX8275609,
N/A,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.619g/mol |
| Monoisotopic Mass | 181.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number