| CAS Number | 65673-82-7 |
| Catalog Number | AG019X3R(AGN-PC-06GLED) |
| Chemical Name | 4-Bromo-6-(chloromethyl)-1,3-dioxaindane |
| IUPAC Name | 4-bromo-6-(chloromethyl)-1,3-benzodioxole |
| InChI | InChI=1S/C8H6BrClO2/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-2H,3-4H2 |
| InChI Key | SJBPZFVJNASLBI-UHFFFAOYSA-N |
| MDL Number | MFCD11182162 |
| Molecular Formula | C8H6BrClO2 |
| Molecular Weight | 249.4890 |
| SMILES | ClCC1=CC(Br)=C2C(OCO2)=C1 |
| Synonyms | 4-bromo-6-(chloromethyl)-2H-1,3-benzodioxole,
65673-82-7,
AC1Q3U0Y,
CTK6H6473,
ZINC36897343,
AKOS009315358,
NE60572,
EN300-53972,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.488g/mol |
| Monoisotopic Mass | 247.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number