| CAS Number | 259667-43-1 |
| Catalog Number | AG00BI2K(AGN-PC-0WNLRL) |
| Chemical Name | 5-Bromo-6-chloro-1H-indole-2,3-dione |
| IUPAC Name | 5-bromo-6-chloro-1H-indole-2,3-dione |
| InChI | InChI=1S/C8H3BrClNO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13) |
| InChI Key | CBTNJOAZPMPZDZ-UHFFFAOYSA-N |
| MDL Number | MFCD06409069 |
| Molecular Formula | C8H3BrClNO2 |
| Molecular Weight | 260.4719 |
| SMILES | BrC=1C=C2C(C(NC2=CC1Cl)=O)=O |
| Synonyms | 5-Bromo-6-chloroindoline-2,3-dione,
259667-43-1,
5-bromo-6-chloro-1H-indole-2,3-dione,
5-bromo-6-chloro-2,3-dihydro-1H-indole-2,3-dione,
SCHEMBL1133657,
MFCD06409069,
ZINC77024151,
AKOS024255965,
CS-W000674,
AS-48605,
1H-Indole-2,3-dione, 5-bromo-6-chloro-,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.471g/mol |
| Monoisotopic Mass | 258.904g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number