| CAS Number | 1233501-44-4 |
| Catalog Number | AG000KEP(AGN-PC-0WCZAZ) |
| Chemical Name | (r)-3-chloro-1-(3,4-dichloro-phenyl)-propan-1-ol |
| IUPAC Name | (1R)-3-chloro-1-(3,4-dichlorophenyl)propan-1-ol |
| InChI | InChI=1S/C9H9Cl3O/c10-4-3-9(13)6-1-2-7(11)8(12)5-6/h1-2,5,9,13H,3-4H2/t9-/m1/s1 |
| InChI Key | MFBGPPIDBLVWIT-SECBINFHSA-N |
| MDL Number | MFCD07784068 |
| Molecular Formula | C9H9Cl3O |
| Molecular Weight | 239.5262 |
| SMILES | ClC1=CC(=CC=C1Cl)[C@@H](CCCl)O |
| Synonyms | (R)-3-Chloro-1-(3,4-dichloro-phenyl)-propan-1-ol,
1233501-44-4,
(r)-3-chloro-1-(3,4-dichlorophenyl)propan-1-ol,
MFCD07784068,
ZINC12649315,
AKOS027328109,
FCH3494686,
AS-37333,
AX8035953,
X-2649,
Benzenemethanol, 3,4-dichloro-alpha-(2-chloroethyl)-, (alphaR)-,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.52g/mol |
| Monoisotopic Mass | 237.972g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number