| CAS Number | 1951445-10-5 |
| Catalog Number | AG00I3D2(AGN-PC-0WQZWU) |
| Chemical Name | 2-(Benzyloxy)-4,5-difluorophenol |
| IUPAC Name | 4,5-difluoro-2-phenylmethoxyphenol |
| InChI | InChI=1S/C13H10F2O2/c14-10-6-12(16)13(7-11(10)15)17-8-9-4-2-1-3-5-9/h1-7,16H,8H2 |
| InChI Key | QRHKUBKDVYPIKK-UHFFFAOYSA-N |
| MDL Number | MFCD30182401 |
| Molecular Formula | C13H10F2O2 |
| Molecular Weight | 236.2141 |
| SMILES | Oc1cc(F)c(cc1OCc1ccccc1)F |
| Synonyms | 2-(Benzyloxy)-4,5-difluorophenol,
1951445-10-5,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.218g/mol |
| Monoisotopic Mass | 236.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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