| CAS Number | 1341140-47-3 |
| Catalog Number | AG01ACCG |
| Chemical Name | 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol |
| IUPAC Name | 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol |
| InChI | InChI=1S/C10H12Cl2O/c1-6(2)10(13)7-3-8(11)5-9(12)4-7/h3-6,10,13H,1-2H3 |
| InChI Key | YYSUKKXLINORJZ-UHFFFAOYSA-N |
| MDL Number | MFCD19602045 |
| Molecular Formula | C10H12Cl2O |
| Molecular Weight | 219.1077 |
| SMILES | CC(C(C1=CC(Cl)=CC(Cl)=C1)O)C |
| Synonyms | 1-(3,5-dichlorophenyl)-2-methylpropan-1-ol,
1341140-47-3,
AKOS013214956,
NE21733,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.105g/mol |
| Monoisotopic Mass | 218.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number