| CAS Number | 1198089-20-1 |
| Catalog Number | AG019DXJ(AGN-PC-0WBRFY) |
| Chemical Name | 1-Bromo-3-trifluoromethoxypropane |
| IUPAC Name | 1-bromo-3-(trifluoromethoxy)propane |
| InChI | InChI=1S/C4H6BrF3O/c5-2-1-3-9-4(6,7)8/h1-3H2 |
| InChI Key | SCMQDRYYWOLCHV-UHFFFAOYSA-N |
| MDL Number | MFCD16617918 |
| Molecular Formula | C4H6BrF3O |
| Molecular Weight | 206.9890 |
| SMILES | BrCCCOC(F)(F)F |
| Synonyms | 1-bromo-3-(trifluoromethoxy)propane,
1-Bromo-3-trifluoromethoxy-propane,
1198089-20-1,
SCHEMBL1118675,
SCMQDRYYWOLCHV-UHFFFAOYSA-N,
BBL102285,
STL556084,
ZINC67792712,
AKOS017344155,
3-Bromo-1-[(trifluoromethyl)oxy]propane,
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| Complexity | 72.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.99g/mol |
| Monoisotopic Mass | 205.955g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number