| CAS Number | 1162262-04-5 |
| Catalog Number | AG01DV0M(AGN-PC-0WD88H) |
| Chemical Name | 4-Bromo-7-methoxyindolin-2-one |
| IUPAC Name | 4-bromo-7-methoxy-1,3-dihydroindol-2-one |
| InChI | InChI=1S/C9H8BrNO2/c1-13-7-3-2-6(10)5-4-8(12)11-9(5)7/h2-3H,4H2,1H3,(H,11,12) |
| InChI Key | ZUBWLSZCSDOILE-UHFFFAOYSA-N |
| MDL Number | MFCD12910508 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | COC1=C2C(CC(N2)=O)=C(Br)C=C1 |
| Synonyms | 1162262-04-5,
4-bromo-7-methoxy-2,3-dihydro-1H-indol-2-one,
4-Bromo-7-methoxyindolin-2-one,
DTXSID70680272,
AKOS017560198,
CS-0055886,
4-Bromo-7-methoxy-1,3-dihydro-2H-indol-2-one,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.072g/mol |
| Monoisotopic Mass | 240.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number