| CAS Number | 1394927-34-4 |
| Catalog Number | AG00HVLU(AGN-PC-0WR8PY) |
| Chemical Name | 3-(benzyloxy)-5-chlorophenol |
| IUPAC Name | 3-chloro-5-phenylmethoxyphenol |
| InChI | InChI=1S/C13H11ClO2/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8,15H,9H2 |
| InChI Key | QSEHCSLFESGHMU-UHFFFAOYSA-N |
| MDL Number | MFCD23110931 |
| Molecular Formula | C13H11ClO2 |
| Molecular Weight | 234.6782 |
| SMILES | Oc1cc(OCc2ccccc2)cc(c1)Cl |
| Synonyms | 3-(BENZYLOXY)-5-CHLOROPHENOL,
1394927-34-4,
ZINC261494138,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.679g/mol |
| Monoisotopic Mass | 234.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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