| CAS Number | 40733-99-1 |
| Catalog Number | AG01EAAJ |
| Chemical Name | 2-fluoro-1-(3-methoxyphenyl)ethan-1-ol |
| IUPAC Name | 2-fluoro-1-(3-methoxyphenyl)ethanol |
| InChI | InChI=1S/C9H11FO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,9,11H,6H2,1H3 |
| InChI Key | DQZYETDYEPKNBS-UHFFFAOYSA-N |
| MDL Number | MFCD28540318 |
| Molecular Formula | C9H11FO2 |
| Molecular Weight | 170.1808 |
| SMILES | COC1=CC(C(CF)O)=CC=C1 |
| Synonyms | 2-fluoro-1-(3-methoxyphenyl)ethan-1-ol,
40733-99-1,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.183g/mol |
| Monoisotopic Mass | 170.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number