| CAS Number | 1568232-45-0 |
| Catalog Number | AG01B9B2 |
| Chemical Name | (1R)-1-(3-bromo-4-chlorophenyl)ethan-1-ol |
| IUPAC Name | (1R)-1-(3-bromo-4-chlorophenyl)ethanol |
| InChI | InChI=1S/C8H8BrClO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,1H3/t5-/m1/s1 |
| InChI Key | RGOUFUGNDAWVER-RXMQYKEDSA-N |
| MDL Number | MFCD24232009 |
| Molecular Formula | C8H8BrClO |
| Molecular Weight | 235.5055 |
| SMILES | C[C@H](C1=CC=C(Cl)C(Br)=C1)O |
| Synonyms | 1568232-45-0,
(1R)-1-(3-bromo-4-chlorophenyl)ethan-1-ol,
ZINC123702523,
(R)-1-(3-Bromo-4-chlorophenyl)ethanol,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.505g/mol |
| Monoisotopic Mass | 233.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number