| CAS Number | 56219-51-3 |
| Catalog Number | AG018RW3(AGN-PC-0NCP6M) |
| Chemical Name | 5-(3-bromopropoxy)-1,3-dioxaindane |
| IUPAC Name | 5-(3-bromopropoxy)-1,3-benzodioxole |
| InChI | InChI=1S/C10H11BrO3/c11-4-1-5-12-8-2-3-9-10(6-8)14-7-13-9/h2-3,6H,1,4-5,7H2 |
| InChI Key | LZVZRLKAMWQNLU-UHFFFAOYSA-N |
| MDL Number | MFCD11164581 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | BrCCCOC1=CC2=C(OCO2)C=C1 |
| Synonyms | 5-(3-bromopropoxy)-2H-1,3-benzodioxole,
56219-51-3,
5-(3-bromopropoxy)benzo[1,3]dioxole,
AC1Q27X7,
SCHEMBL3078802,
CTK5J0291,
LZVZRLKAMWQNLU-UHFFFAOYSA-N,
ZINC36723974,
5-(3-bromopropoxy)-1,3-benzodioxole,
AKOS009291881,
NE15026,
5-(3-bromo-propoxy)-benzo[1,3]dioxole,
EN300-56959,
F8881-1495,
CID10912216,
3-(3,4-methylenedioxyphenoxy)propyl bromide,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number