| CAS Number | 1881331-56-1 |
| Catalog Number | AG00I2NN(AGN-PC-0WRA6I) |
| Chemical Name | 3-chloro-5-ethoxyphenol |
| IUPAC Name | 3-chloro-5-ethoxyphenol |
| InChI | InChI=1S/C8H9ClO2/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5,10H,2H2,1H3 |
| InChI Key | ZWMOVIBRNVOAAU-UHFFFAOYSA-N |
| MDL Number | MFCD29044455 |
| Molecular Formula | C8H9ClO2 |
| Molecular Weight | 172.6089 |
| SMILES | CCOc1cc(O)cc(c1)Cl |
| Synonyms | 3-chloro-5-ethoxyphenol,
1881331-56-1,
SCHEMBL13384702,
ZINC201334667,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.608g/mol |
| Monoisotopic Mass | 172.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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