| CAS Number | 857062-58-9 |
| Catalog Number | AG019T18(AGN-PC-06QNK0) |
| Chemical Name | 4,6-dichloro-2,3-dihydro-1-benzofuran-3-one |
| IUPAC Name | 4,6-dichloro-1-benzofuran-3-one |
| InChI | InChI=1S/C8H4Cl2O2/c9-4-1-5(10)8-6(11)3-12-7(8)2-4/h1-2H,3H2 |
| InChI Key | VUYJDXGTXGRKAC-UHFFFAOYSA-N |
| MDL Number | MFCD12093558 |
| Molecular Formula | C8H4Cl2O2 |
| Molecular Weight | 203.0222 |
| SMILES | ClC1=CC(Cl)=C2C(OCC2=O)=C1 |
| Synonyms | 4,6-dichloro-2,3-dihydro-1-benzofuran-3-one,
857062-58-9,
ZINC36813836,
AKOS008136954,
MCULE-9591985798,
NE19010,
3(2h)-benzofuranone, 4,6-dichloro,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.018g/mol |
| Monoisotopic Mass | 201.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number