| CAS Number | 1549395-22-3 |
| Catalog Number | AG01DVMI |
| Chemical Name | (2-chloro-6-methanesulfonylphenyl)methanol |
| IUPAC Name | (2-chloro-6-methylsulfonylphenyl)methanol |
| InChI | InChI=1S/C8H9ClO3S/c1-13(11,12)8-4-2-3-7(9)6(8)5-10/h2-4,10H,5H2,1H3 |
| InChI Key | BAEQUOMRNGISEE-UHFFFAOYSA-N |
| MDL Number | MFCD26007852 |
| Molecular Formula | C8H9ClO3S |
| Molecular Weight | 220.6733 |
| SMILES | CS(C1=C(CO)C(Cl)=CC=C1)(=O)=O |
| Synonyms | (2-chloro-6-methanesulfonylphenyl)methanol,
SCHEMBL18621584,
AKOS021492267,
1549395-22-3,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.667g/mol |
| Monoisotopic Mass | 219.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number