| CAS Number | 81228-02-6 |
| Catalog Number | AG00G5C8 |
| Chemical Name | 2,4-DIFLUOROBENZENEETHANOL |
| IUPAC Name | 2-(2,4-difluorophenyl)ethanol |
| InChI | InChI=1S/C8H8F2O/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,11H,3-4H2 |
| InChI Key | BAOQAPMRTVBEKF-UHFFFAOYSA-N |
| MDL Number | MFCD00142823 |
| Molecular Formula | C8H8F2O |
| Molecular Weight | 158.1453 |
| SMILES | OCCC1=CC=C(F)C=C1F |
| Synonyms | 2,4-Difluorobenzeneethanol,
81228-02-6,
2-(2,4-difluorophenyl)ethan-1-ol,
2-(2,4-DIFLUOROPHENYL)ETHANOL,
2,4-difluorophenethyl alcohol,
Benzeneethanol, 2,4-difluoro-,
SCHEMBL2335579,
BAOQAPMRTVBEKF-UHFFFAOYSA-N,
ZINC44379652,
AKOS012095930,
NE39909,
N/A,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number