| CAS Number | 99365-44-3 |
| Catalog Number | AG005SDN(AGN-PC-0HDIO4) |
| Chemical Name | 2H-Indol-2-one, 1-acetyl-6-bromo-1,3-dihydro- |
| IUPAC Name | 1-acetyl-6-bromo-3H-indol-2-one |
| InChI | InChI=1S/C10H8BrNO2/c1-6(13)12-9-5-8(11)3-2-7(9)4-10(12)14/h2-3,5H,4H2,1H3 |
| InChI Key | OIGKNMUGQDFQBT-UHFFFAOYSA-N |
| MDL Number | MFCD22376155 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.0800 |
| SMILES | CC(=O)N1C(=O)CC2=C1C=C(Br)C=C2 |
| Synonyms | 2H-Indol-2-one, 1-acetyl-6-bromo-1,3-dihydro-,
99365-44-3,
ACMC-20m2s7,
SCHEMBL2242159,
1-acetyl-6-bromo-2-indolinone,
CTK3G7511,
DTXSID90736841,
OIGKNMUGQDFQBT-UHFFFAOYSA-N,
AS-48740,
1-acetyl-6-bromo-1,3-dihydro-2h-indol-2-one,
1-acetyl-6-bromo-3H-indol-2-one,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.083g/mol |
| Monoisotopic Mass | 252.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number