| CAS Number | 2109-92-4 |
| Catalog Number | AG01B9S1 |
| Chemical Name | 1-(4-chlorophenyl)-3-methoxy-2-methylpropan-2-ol |
| IUPAC Name | 1-(4-chlorophenyl)-3-methoxy-2-methylpropan-2-ol |
| InChI | InChI=1S/C11H15ClO2/c1-11(13,8-14-2)7-9-3-5-10(12)6-4-9/h3-6,13H,7-8H2,1-2H3 |
| InChI Key | LGHMBXWUNLZKNS-UHFFFAOYSA-N |
| MDL Number | MFCD16787660 |
| Molecular Formula | C11H15ClO2 |
| Molecular Weight | 214.6886 |
| SMILES | COCC(CC1=CC=C(Cl)C=C1)(O)C |
| Synonyms | 1-(4-chlorophenyl)-3-methoxy-2-methylpropan-2-ol,
2109-92-4,
AKOS011824550,
Z2108806600,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.689g/mol |
| Monoisotopic Mass | 214.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number