| CAS Number | 126990-14-5 |
| Catalog Number | AG01AP0V(AGN-PC-0O0T4G) |
| Chemical Name | (1-bromo-2-methoxypropan-2-yl)benzene |
| IUPAC Name | (1-bromo-2-methoxypropan-2-yl)benzene |
| InChI | InChI=1S/C10H13BrO/c1-10(8-11,12-2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| InChI Key | VFOYFMNCGSJADN-UHFFFAOYSA-N |
| MDL Number | MFCD00517652 |
| Molecular Formula | C10H13BrO |
| Molecular Weight | 229.1136 |
| SMILES | COC(C1=CC=CC=C1)(CBr)C |
| Synonyms | (1-bromo-2-methoxypropan-2-yl)benzene,
126990-14-5,
AKOS026734248,
2-Bromo-1-methoxy-1-methylethylbenzene,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.117g/mol |
| Monoisotopic Mass | 228.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number