| CAS Number | 1114822-77-3 |
| Catalog Number | AG019U8X |
| Chemical Name | {4-[(difluoromethyl)sulfanyl]phenyl}methanol |
| IUPAC Name | [4-(difluoromethylsulfanyl)phenyl]methanol |
| InChI | InChI=1S/C8H8F2OS/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2 |
| InChI Key | YKCIPFKQNNCPGG-UHFFFAOYSA-N |
| MDL Number | MFCD11857780 |
| Molecular Formula | C8H8F2OS |
| Molecular Weight | 190.2103 |
| SMILES | OCC1=CC=C(SC(F)F)C=C1 |
| Synonyms | {4-[(difluoromethyl)sulfanyl]phenyl}methanol,
1114822-77-3,
{4-[(difluoromethyl)thio]phenyl}methanol,
CTK8A2875,
ZINC32627931,
NE39839,
EN300-40955,
AC1Q7C1H,
(4-[(difluoromethyl)sulfanyl]phenyl)methanol,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.026392g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.21g/mol |
| Monoisotopic Mass | 190.026392g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number