| CAS Number | 943526-33-8 |
| Catalog Number | AG0039C6(AGN-PC-0WAM1Z) |
| Chemical Name | 2H-INdol-2-one, 4-chloro-1,3-dihydro-7-methyl- |
| IUPAC Name | 4-chloro-7-methyl-1,3-dihydroindol-2-one |
| InChI | InChI=1S/C9H8ClNO/c1-5-2-3-7(10)6-4-8(12)11-9(5)6/h2-3H,4H2,1H3,(H,11,12) |
| InChI Key | UWAIMYDWOOZYGR-UHFFFAOYSA-N |
| MDL Number | MFCD21961280 |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.6189 |
| SMILES | ClC1=C2CC(NC2=C(C=C1)C)=O |
| Synonyms | 943526-33-8,
2H-Indol-2-one, 4-chloro-1,3-dihydro-7-methyl-,
4-chloro-7-methyl-2,3-dihydro-1H-indol-2-one,
4-Chloro-7-methylindoline-2-one,
MFCD21961280,
ZINC86569808,
AKOS018159846,
KS-000002K9,
4-Chloro-1,3-dihydro-7-methyl-2H-indol-2-one,
Z2754447831,
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| 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