| CAS Number | 59825-75-1 |
| Catalog Number | AG01BK65(AGN-PC-0018Z5) |
| Chemical Name | 5-(2-Bromoethoxy)-1,3-benzodioxole |
| IUPAC Name | 5-(2-bromoethoxy)-1,3-benzodioxole |
| InChI | InChI=1S/C9H9BrO3/c10-3-4-11-7-1-2-8-9(5-7)13-6-12-8/h1-2,5H,3-4,6H2 |
| InChI Key | URIVYBLQEIFBAU-UHFFFAOYSA-N |
| MDL Number | MFCD11131673 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | BrCCOC1=CC2=C(OCO2)C=C1 |
| Synonyms | 59825-75-1,
5-(2-Bromoethoxy)-2H-1,3-benzodioxole,
2-(3',4'-methylenedioxyphenoxy)bromoethane,
SCHEMBL5725730,
CTK1D9066,
DTXSID10559655,
URIVYBLQEIFBAU-UHFFFAOYSA-N,
ZINC19843592,
AKOS000210308,
1,3-Benzodioxole, 5-(2-bromoethoxy)-,
2-[3,4-(methylenedioxy)phenoxy]ethylbromide,
5-(2-bromoethoxy)benzo[d][1,3]dioxole,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.072g/mol |
| Monoisotopic Mass | 243.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number