| CAS Number | 1549327-88-9 |
| Catalog Number | AG01C6H1 |
| Chemical Name | 2-bromo-1-(2,5-dimethoxyphenyl)ethan-1-ol |
| IUPAC Name | 2-bromo-1-(2,5-dimethoxyphenyl)ethanol |
| InChI | InChI=1S/C10H13BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6H2,1-2H3 |
| InChI Key | BFNGHCXVSDJCDR-UHFFFAOYSA-N |
| MDL Number | MFCD24346283 |
| Molecular Formula | C10H13BrO3 |
| Molecular Weight | 261.1124 |
| SMILES | COC1=CC(C(CBr)O)=C(OC)C=C1 |
| Synonyms | 2-bromo-1-(2,5-dimethoxyphenyl)ethan-1-ol,
1549327-88-9,
AKOS021321117,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.115g/mol |
| Monoisotopic Mass | 260.005g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number