| CAS Number | 351068-85-4 |
| Catalog Number | AG01BETE(AGN-PC-0RAH4R) |
| Chemical Name | (1S)-2-chloro-1-(4-methylphenyl)ethan-1-ol |
| IUPAC Name | (1S)-2-chloro-1-(4-methylphenyl)ethanol |
| InChI | InChI=1S/C9H11ClO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9,11H,6H2,1H3/t9-/m1/s1 |
| InChI Key | HNIOYEPFDGBZMW-SECBINFHSA-N |
| MDL Number | MFCD23725844 |
| Molecular Formula | C9H11ClO |
| Molecular Weight | 170.6360 |
| SMILES | O[C@@H](C1=CC=C(C)C=C1)CCl |
| Synonyms | (1S)-2-chloro-1-(4-methylphenyl)ethan-1-ol,
351068-85-4,
SCHEMBL3926773,
ZINC36156237,
AKOS017529176,
NE49282,
(S)-1-(4-Methylphenyl)-2-chloroethanol,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number