| CAS Number | 261944-18-7 |
| Catalog Number | AG002S5U(AGN-PC-0KKVYT) |
| Chemical Name | {2-[(difluoromethyl)sulfanyl]phenyl}methanol |
| IUPAC Name | [2-(difluoromethylsulfanyl)phenyl]methanol |
| InChI | InChI=1S/C8H8F2OS/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-4,8,11H,5H2 |
| InChI Key | JUVQZOQEFRPHIL-UHFFFAOYSA-N |
| MDL Number | MFCD01631520 |
| Molecular Formula | C8H8F2OS |
| Molecular Weight | 190.2103 |
| SMILES | OCC1=C(SC(F)F)C=CC=C1 |
| Synonyms | {2-[(difluoromethyl)sulfanyl]phenyl}methanol,
261944-18-7,
2-(Difluoromethylthio)benzyl alcohol,
AC1MCO1D,
AC1Q7BYC,
CTK8A3062,
ZINC2382193,
MFCD01631520,
SBB091134,
NE45545,
[2-(difluoromethylsulfanyl)phenyl]methanol,
[2-(difluoromethylthio)phenyl]methan-1-ol,
Benzenemethanol, 2-[(difluoromethyl)thio]-,
EN300-42054,
ZINC02382193,
CID2774167,
(2-[(difluoromethyl)sulfanyl]phenyl)methanol,
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| Complexity | 132 |
| 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 | 3 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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