| CAS Number | 1153450-05-5 |
| Catalog Number | AG01A9V3(AGN-PC-0WOA18) |
| Chemical Name | 6,7-Dichloro-2,3-dihydro-1-benzofuran-3-one |
| IUPAC Name | 6,7-dichloro-1-benzofuran-3-one |
| InChI | InChI=1S/C8H4Cl2O2/c9-5-2-1-4-6(11)3-12-8(4)7(5)10/h1-2H,3H2 |
| InChI Key | PPVCDEHKMVBMGA-UHFFFAOYSA-N |
| MDL Number | MFCD12187637 |
| Molecular Formula | C8H4Cl2O2 |
| Molecular Weight | 203.0222 |
| SMILES | ClC1=C(Cl)C2=C(C(CO2)=O)C=C1 |
| Synonyms | 6,7-dichloro-2,3-dihydro-1-benzofuran-3-one,
1153450-05-5,
3(2H)-Benzofuranone, 6,7-dichloro-,
AC1Q3HQE,
ZINC35652479,
AKOS005363272,
NE60069,
EN300-66243,
Z2696618666,
|
| 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