| CAS Number | 1881295-75-5 |
| Catalog Number | AG00I29R(AGN-PC-0WR8IT) |
| Chemical Name | 3-butoxy-5-chlorophenol |
| IUPAC Name | 3-butoxy-5-chlorophenol |
| InChI | InChI=1S/C10H13ClO2/c1-2-3-4-13-10-6-8(11)5-9(12)7-10/h5-7,12H,2-4H2,1H3 |
| InChI Key | UCPUYHJJSUWKII-UHFFFAOYSA-N |
| MDL Number | MFCD29044499 |
| Molecular Formula | C10H13ClO2 |
| Molecular Weight | 200.6620 |
| SMILES | CCCCOc1cc(O)cc(c1)Cl |
| Synonyms | 3-BUTOXY-5-CHLOROPHENOL,
1881295-75-5,
ZINC261494281,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.662g/mol |
| Monoisotopic Mass | 200.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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