| CAS Number | 42024-40-8 |
| Catalog Number | AG003ADB(AGN-PC-0WOMW5) |
| Chemical Name | 1-(4-chlorophenyl)-3-methylbutan-2-ol |
| IUPAC Name | 1-(4-chlorophenyl)-3-methylbutan-2-ol |
| InChI | InChI=1S/C11H15ClO/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,11,13H,7H2,1-2H3 |
| InChI Key | CBAJDMVADUVMKD-UHFFFAOYSA-N |
| MDL Number | MFCD11935695 |
| Molecular Formula | C11H15ClO |
| Molecular Weight | 198.6892 |
| SMILES | ClC1=CC=C(C=C1)CC(C(C)C)O |
| Synonyms | 1-(4-chlorophenyl)-3-methylbutan-2-ol,
42024-40-8,
SCHEMBL192679,
CBAJDMVADUVMKD-UHFFFAOYSA-N,
AKOS010014343,
1-(4-Chlorophenyl)-3-methyl-2-butanol,
1-(chlorophenyl)-3-methyl-2-butanol,
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| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.69g/mol |
| Monoisotopic Mass | 198.081g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number