| CAS Number | 473299-50-2 |
| Catalog Number | AG00I8MM |
| Chemical Name | [3,5-Difluoro-4-(methylsulfanyl)phenyl]methanol |
| IUPAC Name | (3,5-difluoro-4-methylsulfanylphenyl)methanol |
| InChI | InChI=1S/C8H8F2OS/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4H2,1H3 |
| InChI Key | USFPKNZPHDRFEH-UHFFFAOYSA-N |
| MDL Number | MFCD18891412 |
| Molecular Formula | C8H8F2OS |
| Molecular Weight | 190.2103 |
| SMILES | c1(c(c(cc(c1)CO)F)SC)F |
| Synonyms | (3,5-Difluoro-4-(methylthio)phenyl)methanol,
473299-50-2,
[3,5-difluoro-4-(methylsulfanyl)phenyl]methanol,
[3,5-Difluoro-4-(methylthio)phenyl]methanol,
SCHEMBL6732122,
USFPKNZPHDRFEH-UHFFFAOYSA-N,
MFCD18891412,
ZINC82617041,
AKOS013147727,
AS-36451,
[3,5-difluoro-4-(methylthio)-phenyl]methanol,
Benzenemethanol, 3,5-difluoro-4-(methylthio)-,
[3,5-difluoro-4-(methylthio)-phenyl]-methanol,
Z2754447736,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.208g/mol |
| Monoisotopic Mass | 190.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number