| CAS Number | 1580548-81-7 |
| Catalog Number | AG00AE82(AGN-PC-0WANQZ) |
| Chemical Name | 1-Acetoxy-5-bromo-1,2-benziodoxol-3(1H)-one |
| IUPAC Name | (5-bromo-3-oxo-1λ3,2-benziodoxol-1-yl) acetate |
| InChI | InChI=1S/C9H6BrIO4/c1-5(12)14-11-8-3-2-6(10)4-7(8)9(13)15-11/h2-4H,1H3 |
| InChI Key | QPZPQFBDNWCSGA-UHFFFAOYSA-N |
| MDL Number | MFCD28100817 |
| Molecular Formula | C9H6BrIO4 |
| Molecular Weight | 384.9500 |
| SMILES | CC(=O)OI1C2=C(C=C(C=C2)Br)C(=O)O1 |
| Synonyms | 1-Acetoxy-5-bromo-1,2-benziodoxol-3(1H)-one,
1580548-81-7,
ABBX,
MFCD28100817,
Acetic acid 3-oxo-5-bromo-1,2-benzoiodoxole-1(3H)-yl ester,
A2678,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.849g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.951g/mol |
| Monoisotopic Mass | 383.849g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number