| CAS Number | 1754-67-2 |
| Catalog Number | AG01B8AF |
| Chemical Name | 1-(3-Chlorophenyl)-2-methylpropan-2-ol |
| IUPAC Name | 1-(3-chlorophenyl)-2-methylpropan-2-ol |
| InChI | InChI=1S/C10H13ClO/c1-10(2,12)7-8-4-3-5-9(11)6-8/h3-6,12H,7H2,1-2H3 |
| InChI Key | JNJIFPQDIPGVED-UHFFFAOYSA-N |
| MDL Number | MFCD11521016 |
| Molecular Formula | C10H13ClO |
| Molecular Weight | 184.6626 |
| SMILES | CC(C)(CC1=CC(=CC=C1)Cl)O |
| Synonyms | 1-(3-chlorophenyl)-2-methylpropan-2-ol,
1754-67-2,
1-(3-Chlorophenyl)-2-methyl-2-propanol,
SCHEMBL8324906,
ZINC19780389,
AKOS010014059,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.663g/mol |
| Monoisotopic Mass | 184.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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