| CAS Number | 837417-11-5 |
| Catalog Number | AG01A1S4(AGN-PC-0UPCRK) |
| Chemical Name | (1R)-1-(3,4-dichlorophenyl)propan-1-ol |
| IUPAC Name | (1R)-1-(3,4-dichlorophenyl)propan-1-ol |
| InChI | InChI=1S/C9H10Cl2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9,12H,2H2,1H3/t9-/m1/s1 |
| InChI Key | PJYGECCAJOYJMK-SECBINFHSA-N |
| MDL Number | MFCD18339588 |
| Molecular Formula | C9H10Cl2O |
| Molecular Weight | 205.0811 |
| SMILES | CC[C@H](C1=CC(Cl)=C(Cl)C=C1)O |
| Synonyms | (1R)-1-(3,4-dichlorophenyl)propan-1-ol,
837417-11-5,
SCHEMBL13778643,
ZINC13007121,
AKOS016913550,
MCULE-8560821100,
NE22441,
Z1483951050,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number