| CAS Number | 864054-55-7 |
| Catalog Number | AG01FGV4(AGN-PC-0DQDUW) |
| Chemical Name | 3-(2,2-Difluoroethoxy)benzyl bromide |
| IUPAC Name | 1-(bromomethyl)-3-(2,2-difluoroethoxy)benzene |
| InChI | InChI=1S/C9H9BrF2O/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-4,9H,5-6H2 |
| InChI Key | HWEFIVWMYFGOBQ-UHFFFAOYSA-N |
| MDL Number | MFCD12768652 |
| Molecular Formula | C9H9BrF2O |
| Molecular Weight | 251.0680 |
| SMILES | BrCc1cccc(c1)OCC(F)F |
| Synonyms | 3-(2,2-Difluoroethoxy)benzyl bromide,
864054-55-7,
SCHEMBL4164639,
MFCD12768652,
ZINC37756205,
AKOS010145119,
BBV-32123663,
PC500935,
1-(bromomethyl)-3-(2,2-difluoroethoxy)benzene,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.071g/mol |
| Monoisotopic Mass | 249.98g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number