| CAS Number | 126534-34-7 |
| Catalog Number | AG019XT1(AGN-PC-0PIB9U) |
| Chemical Name | (1S)-1-(2,4-Difluorophenyl)Ethan-1-Ol |
| IUPAC Name | (1S)-1-(2,4-difluorophenyl)ethanol |
| InChI | InChI=1S/C8H8F2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3/t5-/m0/s1 |
| InChI Key | KUBJARHKXBDGAA-YFKPBYRVSA-N |
| MDL Number | MFCD09863751 |
| Molecular Formula | C8H8F2O |
| Molecular Weight | 158.1453 |
| SMILES | C[C@@H](C1=C(F)C=C(F)C=C1)O |
| Synonyms | (1S)-1-(2,4-difluorophenyl)ethan-1-ol,
126534-34-7,
(1S)-1-(2,4-DIFLUOROPHENYL)ETHANOL,
AC1Q29MH,
SCHEMBL17947416,
CTK7B8860,
ZINC12506428,
AKOS034825923,
MCULE-7096110925,
NE19779,
EN300-55977,
Benzenemethanol, 2,4-difluoro-a-methyl-, (aS)-,
Z360055924,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.148g/mol |
| Monoisotopic Mass | 158.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number