| CAS Number | 1184222-89-6 |
| Catalog Number | AG01A8ML |
| Chemical Name | 5-bromo-1-(3-methoxypropyl)-2,3-dihydro-1H-indole-2,3-dione |
| IUPAC Name | 5-bromo-1-(3-methoxypropyl)indole-2,3-dione |
| InChI | InChI=1S/C12H12BrNO3/c1-17-6-2-5-14-10-4-3-8(13)7-9(10)11(15)12(14)16/h3-4,7H,2,5-6H2,1H3 |
| InChI Key | KDGLHUWDDSPVCS-UHFFFAOYSA-N |
| MDL Number | MFCD12876302 |
| Molecular Formula | C12H12BrNO3 |
| Molecular Weight | 298.1326 |
| SMILES | COCCCN1C2=C(C=C(C=C2)Br)C(=O)C1=O |
| Synonyms | 5-bromo-1-(3-methoxypropyl)-2,3-dihydro-1H-indole-2,3-dione,
1184222-89-6,
AC1Q4FNS,
ZINC37753948,
AKOS005936025,
MCULE-9677686312,
NE33487,
EN300-62026,
Z992717344,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.136g/mol |
| Monoisotopic Mass | 297g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number