| CAS Number | 1250487-28-5 |
| Catalog Number | AG019YB8 |
| Chemical Name | 1-(2,6-difluoro-4-methoxyphenyl)ethan-1-ol |
| IUPAC Name | 1-(2,6-difluoro-4-methoxyphenyl)ethanol |
| InChI | InChI=1S/C9H10F2O2/c1-5(12)9-7(10)3-6(13-2)4-8(9)11/h3-5,12H,1-2H3 |
| InChI Key | NODBXQQEAUSBBE-UHFFFAOYSA-N |
| MDL Number | MFCD12786571 |
| Molecular Formula | C9H10F2O2 |
| Molecular Weight | 188.1713 |
| SMILES | COC1=CC(F)=C(C(O)C)C(F)=C1 |
| Synonyms | 1-(2,6-difluoro-4-methoxyphenyl)ethanol,
1250487-28-5,
1-(2,6-difluoro-4-methoxyphenyl)ethan-1-ol,
MFCD12786571,
AKOS010333581,
MCULE-2350051465,
NE45583,
AS-43500,
Z1354432957,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.174g/mol |
| Monoisotopic Mass | 188.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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