| CAS Number | 762292-74-0 |
| Catalog Number | AG00GA3X(AGN-PC-0U9BA5) |
| Chemical Name | 2,2-Difluoro-2-(4-fluorophenyl)ethanol |
| IUPAC Name | 2,2-difluoro-2-(4-fluorophenyl)ethanol |
| InChI | InChI=1S/C8H7F3O/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4,12H,5H2 |
| InChI Key | XGRLFKUJAPXWHO-UHFFFAOYSA-N |
| MDL Number | MFCD22199887 |
| Molecular Formula | C8H7F3O |
| Molecular Weight | 176.1358 |
| SMILES | OCC(C1=CC=C(F)C=C1)(F)F |
| Synonyms | 2,2-difluoro-2-(4-fluorophenyl)ethanol,
762292-74-0,
2,2-difluoro-2-(4-fluorophenyl)ethan-1-ol,
SCHEMBL17583204,
XGRLFKUJAPXWHO-UHFFFAOYSA-N,
AKOS025214187,
ZINC142871790,
A1-11832,
Z2832013348,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.138g/mol |
| Monoisotopic Mass | 176.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number