| CAS Number | 1003843-94-4 |
| Catalog Number | AG01B8XI |
| Chemical Name | [3-methanesulfonyl-5-(trifluoromethyl)phenyl]methanol |
| IUPAC Name | [3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C9H9F3O3S/c1-16(14,15)8-3-6(5-13)2-7(4-8)9(10,11)12/h2-4,13H,5H2,1H3 |
| InChI Key | HBIQLOSUNLJCEF-UHFFFAOYSA-N |
| MDL Number | MFCD26051392 |
| Molecular Formula | C9H9F3O3S |
| Molecular Weight | 254.2262 |
| SMILES | CS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)CO |
| Synonyms | 1003843-94-4,
[3-methanesulfonyl-5-(trifluoromethyl)phenyl]methanol,
(3-(Methylsulfonyl)-5-(trifluoromethyl)phenyl)methanol,
SCHEMBL3950879,
Benzenemethanol, 3-(methylsulfonyl)-5-(trifluoromethyl)-,
HBIQLOSUNLJCEF-UHFFFAOYSA-N,
ZINC141380258,
(3-methanesulfonyl-5-trifluoromethyl-phenyl)-methanol,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.223g/mol |
| Monoisotopic Mass | 254.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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