| CAS Number | 1314904-19-2 |
| Catalog Number | AG01ES5U(AGN-PC-3H47EK) |
| Chemical Name | 1-(3-chloro-2-methylphenyl)ethan-1-ol |
| IUPAC Name | 1-(3-chloro-2-methylphenyl)ethanol |
| InChI | InChI=1S/C9H11ClO/c1-6-8(7(2)11)4-3-5-9(6)10/h3-5,7,11H,1-2H3 |
| InChI Key | OBANDKGLTWCNQH-UHFFFAOYSA-N |
| MDL Number | MFCD11520996 |
| Molecular Formula | C9H11ClO |
| Molecular Weight | 170.6360 |
| SMILES | CC(C1=C(C)C(Cl)=CC=C1)O |
| Synonyms | 1-(3-chloro-2-methylphenyl)ethanol,
1314904-19-2,
AKOS006326026,
1-(3-chloro-2-methylphenyl)ethan-1-ol,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.636g/mol |
| Monoisotopic Mass | 170.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number