| CAS Number | 151985-18-1 |
| Catalog Number | AG01DVIM |
| Chemical Name | 6-bromo-3,3-dimethyl-1,3-dihydro-2-benzofuran-1-one |
| IUPAC Name | 6-bromo-3,3-dimethyl-2-benzofuran-1-one |
| InChI | InChI=1S/C10H9BrO2/c1-10(2)8-4-3-6(11)5-7(8)9(12)13-10/h3-5H,1-2H3 |
| InChI Key | OIAQBIFAALGMAC-UHFFFAOYSA-N |
| MDL Number | MFCD13192306 |
| Molecular Formula | C10H9BrO2 |
| Molecular Weight | 241.0813 |
| SMILES | CC1(C2=C(C=C(C=C2)Br)C(=O)O1)C |
| Synonyms | 1(3H)-isobenzofuranone, 6-bromo-3,3-dimethyl-,
151985-18-1,
ZINC88190219,
AKOS034132204,
6-bromo-3,3-dimethyl-1(3H)-Isobenzofuranone,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.084g/mol |
| Monoisotopic Mass | 239.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number