| CAS Number | 1343855-95-7 |
| Catalog Number | AG01DYOD |
| Chemical Name | 1-(3,5-dichlorophenyl)propan-1-ol |
| IUPAC Name | 1-(3,5-dichlorophenyl)propan-1-ol |
| InChI | InChI=1S/C9H10Cl2O/c1-2-9(12)6-3-7(10)5-8(11)4-6/h3-5,9,12H,2H2,1H3 |
| InChI Key | MSDKSQHCPYGRGP-UHFFFAOYSA-N |
| MDL Number | MFCD11521213 |
| Molecular Formula | C9H10Cl2O |
| Molecular Weight | 205.0811 |
| SMILES | c1(cc(cc(c1)C(CC)O)Cl)Cl |
| Synonyms | 1-(3,5-dichlorophenyl)propan-1-ol,
1343855-95-7,
1-(3,5-Dichlorophenyl)-1-propanol,
AKOS013215600,
CID10998145,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.078g/mol |
| Monoisotopic Mass | 204.011g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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