| CAS Number | 72736-55-1 |
| Catalog Number | AG00ICAO |
| Chemical Name | 6-bromo-4-chloro-2H-1,3-benzodioxole |
| IUPAC Name | 6-bromo-4-chloro-1,3-benzodioxole |
| InChI | InChI=1S/C7H4BrClO2/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-2H,3H2 |
| InChI Key | JBMQHJLNVUKDHJ-UHFFFAOYSA-N |
| MDL Number | MFCD23709710 |
| Molecular Formula | C7H4BrClO2 |
| Molecular Weight | 235.4625 |
| SMILES | ClC1=C2C(OCO2)=CC(Br)=C1 |
| Synonyms | 6-bromo-4-chloro-2H-1,3-benzodioxole,
72736-55-1,
SCHEMBL11089458,
JBMQHJLNVUKDHJ-UHFFFAOYSA-N,
ZINC164366051,
6-BROMO-4-CHLORO-1,3-DIOXAINDANE,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.908g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.461g/mol |
| Monoisotopic Mass | 233.908g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number