| CAS Number | 25574-18-9 |
| Catalog Number | AG00I4VF(AGN-PC-0R1CVM) |
| Chemical Name | 3-Chloro-1-(4-chlorophenyl)propan-1-ol |
| IUPAC Name | 3-chloro-1-(4-chlorophenyl)propan-1-ol |
| InChI | InChI=1S/C9H10Cl2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,9,12H,5-6H2 |
| InChI Key | AGUYFKWDURVWJS-UHFFFAOYSA-N |
| MDL Number | MFCD14529929 |
| Molecular Formula | C9H10Cl2O |
| Molecular Weight | 205.0811 |
| SMILES | ClCCC(c1ccc(cc1)Cl)O |
| Synonyms | 3-chloro-1-(4-chlorophenyl)propan-1-ol,
25574-18-9,
1-(4-chlorophenyl)-3-chloropropanol,
SCHEMBL3917589,
Benzenemethanol, 4-chloro-a-(2-chloroethyl)-,
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| Complexity | 122 |
| 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 | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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