| CAS Number | 1162262-43-2 |
| Catalog Number | AG00HDPL(AGN-PC-071BAP) |
| Chemical Name | 6-Bromo-3,4-dihydroisochromen-1-one |
| IUPAC Name | 6-bromo-3,4-dihydroisochromen-1-one |
| InChI | InChI=1S/C9H7BrO2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-2,5H,3-4H2 |
| InChI Key | UPAPBCUWEGCRAG-UHFFFAOYSA-N |
| MDL Number | MFCD18452098 |
| Molecular Formula | C9H7BrO2 |
| Molecular Weight | 227.0547 |
| SMILES | O=C1C2=C(C=C(Br)C=C2)CCO1 |
| Synonyms | 6-BROMOISOCHROMAN-1-ONE,
1162262-43-2,
6-BROMO-3,4-DIHYDROISOCHROMEN-1-ONE,
1H-2-Benzopyran-1-one, 6-bromo-3,4-dihydro-,
SCHEMBL2731697,
DTXSID80657511,
UPAPBCUWEGCRAG-UHFFFAOYSA-N,
ZINC71257295,
AKOS015969445,
6-bromo-3,4-dihydro-1H-isochromen-1-one,
6-Bromo-3, 4-dihydro-1H-isochromen-1-one,
6-Bromo-3,4-dihydro-1H-2-benzopyran-1-one,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.057g/mol |
| Monoisotopic Mass | 225.963g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number