| CAS Number | 1232403-71-2 |
| Catalog Number | AG01A4ZM |
| Chemical Name | (αr)-2-Bromo-4-Methoxy-α-Methylbenzenemethanol |
| IUPAC Name | (1R)-1-(2-bromo-4-methoxyphenyl)ethanol |
| InChI | InChI=1S/C9H11BrO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-6,11H,1-2H3/t6-/m1/s1 |
| InChI Key | UJSSRKRHXCIJRN-ZCFIWIBFSA-N |
| MDL Number | MFCD24302926 |
| Molecular Formula | C9H11BrO2 |
| Molecular Weight | 231.0864 |
| SMILES | C[C@H](C1=CC=C(OC)C=C1Br)O |
| Synonyms | (1R)-1-(2-bromo-4-methoxyphenyl)ethan-1-ol,
1232403-71-2,
SCHEMBL6795750,
ZINC40264551,
AKOS021076675,
NE47611,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.99424g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.09g/mol |
| Monoisotopic Mass | 229.99424g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number