| CAS Number | 1566400-39-2 |
| Catalog Number | AG01C2KT |
| Chemical Name | [3-chloro-5-(ethanesulfonyl)phenyl]methanol |
| IUPAC Name | (3-chloro-5-ethylsulfonylphenyl)methanol |
| InChI | InChI=1S/C9H11ClO3S/c1-2-14(12,13)9-4-7(6-11)3-8(10)5-9/h3-5,11H,2,6H2,1H3 |
| InChI Key | NCPIPZLVUACVJQ-UHFFFAOYSA-N |
| MDL Number | MFCD26051406 |
| Molecular Formula | C9H11ClO3S |
| Molecular Weight | 234.6998 |
| SMILES | CCS(C1=CC(CO)=CC(Cl)=C1)(=O)=O |
| Synonyms | [3-chloro-5-(ethanesulfonyl)phenyl]methanol,
1566400-39-2,
SCHEMBL18621009,
ZINC158990838,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.694g/mol |
| Monoisotopic Mass | 234.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number