| CAS Number | 1881321-41-0 |
| Catalog Number | AG00I2DR(AGN-PC-0WR8OO) |
| Chemical Name | 2-(benzyloxy)-5-chloropyridin-3-ol |
| IUPAC Name | 5-chloro-2-phenylmethoxypyridin-3-ol |
| InChI | InChI=1S/C12H10ClNO2/c13-10-6-11(15)12(14-7-10)16-8-9-4-2-1-3-5-9/h1-7,15H,8H2 |
| InChI Key | OIMSOVXQVNPLLK-UHFFFAOYSA-N |
| MDL Number | MFCD29044661 |
| Molecular Formula | C12H10ClNO2 |
| Molecular Weight | 235.6663 |
| SMILES | Clc1cnc(c(c1)O)OCc1ccccc1 |
| Synonyms | 2-(BENZYLOXY)-5-CHLOROPYRIDIN-3-OL,
1881321-41-0,
ZINC261494039,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.667g/mol |
| Monoisotopic Mass | 235.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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