| CAS Number | 1503138-13-3 |
| Catalog Number | AG01BGWR |
| Chemical Name | 2,2-difluoro-1-[3-(propan-2-yloxy)phenyl]ethan-1-ol |
| IUPAC Name | 2,2-difluoro-1-(3-propan-2-yloxyphenyl)ethanol |
| InChI | InChI=1S/C11H14F2O2/c1-7(2)15-9-5-3-4-8(6-9)10(14)11(12)13/h3-7,10-11,14H,1-2H3 |
| InChI Key | MJTUECLYWUNXSN-UHFFFAOYSA-N |
| MDL Number | MFCD23943447 |
| Molecular Formula | C11H14F2O2 |
| Molecular Weight | 216.2245 |
| SMILES | CC(OC1=CC(C(C(F)F)O)=CC=C1)C |
| Synonyms | 2,2-difluoro-1-[3-(propan-2-yloxy)phenyl]ethan-1-ol,
1503138-13-3,
AKOS019171210,
Z1945984188,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.228g/mol |
| Monoisotopic Mass | 216.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number