| CAS Number | 1691756-22-5 |
| Catalog Number | AG01BVL6 |
| Chemical Name | [2-Bromo-4-(ethylsulfanyl)phenyl]methanol |
| IUPAC Name | (2-bromo-4-ethylsulfanylphenyl)methanol |
| InChI | InChI=1S/C9H11BrOS/c1-2-12-8-4-3-7(6-11)9(10)5-8/h3-5,11H,2,6H2,1H3 |
| InChI Key | BKBQHNXEQYKTHE-UHFFFAOYSA-N |
| MDL Number | MFCD30476462 |
| Molecular Formula | C9H11BrOS |
| Molecular Weight | 247.152 |
| SMILES | CCSC1=CC(Br)=C(CO)C=C1 |
| Synonyms | [2-bromo-4-(ethylsulfanyl)phenyl]methanol,
1691756-22-5,
ZINC233867860,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.15g/mol |
| Monoisotopic Mass | 245.971g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number