| CAS Number | 90321-39-4 |
| Catalog Number | AG01C833(AGN-PC-00LT55) |
| Chemical Name | 2-bromo-1,3-dimethoxypropane |
| IUPAC Name | 2-bromo-1,3-dimethoxypropane |
| InChI | InChI=1S/C5H11BrO2/c1-7-3-5(6)4-8-2/h5H,3-4H2,1-2H3 |
| InChI Key | IATIPDVXXMRIGE-UHFFFAOYSA-N |
| MDL Number | MFCD20625125 |
| Molecular Formula | C5H11BrO2 |
| Molecular Weight | 183.0436 |
| SMILES | COCC(COC)Br |
| Synonyms | 2-BROMO-1,3-DIMETHOXYPROPANE,
90321-39-4,
DTXSID20533986,
2-bromanyl-1,3-dimethoxy-propane,
Propane, 2-bromo-1,3-dimethoxy-,
CS-0089990,
A843506,
Propane,2-bromo-1,3-dimethoxy-,
|
| Complexity | 43.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.045g/mol |
| Monoisotopic Mass | 181.994g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number