| CAS Number | 41192-33-0 |
| Catalog Number | AG01B81Z(AGN-PC-0NDSV9) |
| Chemical Name | 5-chloro-1-methyl-2,3-dihydro-1H-indol-2-one |
| IUPAC Name | 5-chloro-1-methyl-3H-indol-2-one |
| InChI | InChI=1S/C9H8ClNO/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3 |
| InChI Key | ONTWHPOGWLOYFI-UHFFFAOYSA-N |
| MDL Number | MFCD18432286 |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.6189 |
| SMILES | O=C1N(C)C2=C(C=C(Cl)C=C2)C1 |
| Synonyms | 5-Chloro-1-methylindolin-2-one,
41192-33-0,
5-chloro-1-methyl-2,3-dihydro-1H-indol-2-one,
5-chloro-1-methyl-1,3-dihydro-2h-indol-2-one,
5-chloro-1-methyloxindole,
SCHEMBL1925311,
ONTWHPOGWLOYFI-UHFFFAOYSA-N,
ZINC71774284,
AKOS017515773,
1-Methyl-5-chloro-1,3-dihydroindol-2-one,
Z1993522703,
5-chloro-1-methyl-3H-indol-2-one,
CID10976112,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.619g/mol |
| Monoisotopic Mass | 181.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number