| CAS Number | 1392146-22-3 |
| Catalog Number | AG019TU9 |
| Chemical Name | 1-Bromo-3-(2,2-diethoxyethyl)benzene |
| IUPAC Name | 1-bromo-3-(2,2-diethoxyethyl)benzene |
| InChI | InChI=1S/C12H17BrO2/c1-3-14-12(15-4-2)9-10-6-5-7-11(13)8-10/h5-8,12H,3-4,9H2,1-2H3 |
| InChI Key | WJHTWMDUJGNNHX-UHFFFAOYSA-N |
| MDL Number | MFCD11554222 |
| Molecular Formula | C12H17BrO2 |
| Molecular Weight | 273.1662 |
| SMILES | CCOC(OCC)CC1=CC(Br)=CC=C1 |
| Synonyms | 1-bromo-3-(2,2-diethoxyethyl)benzene,
1392146-22-3,
SCHEMBL3965175,
ZINC43502735,
NE30733,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.17g/mol |
| Monoisotopic Mass | 272.041g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number