| CAS Number | 1175913-39-9 |
| Catalog Number | AG01A3TV |
| Chemical Name | (1S)-1-(4-fluoro-3-methylphenyl)propan-1-ol |
| IUPAC Name | (1S)-1-(4-fluoro-3-methylphenyl)propan-1-ol |
| InChI | InChI=1S/C10H13FO/c1-3-10(12)8-4-5-9(11)7(2)6-8/h4-6,10,12H,3H2,1-2H3/t10-/m0/s1 |
| InChI Key | DGBHNVFEOLPHQH-JTQLQIEISA-N |
| MDL Number | MFCD15478520 |
| Molecular Formula | C10H13FO |
| Molecular Weight | 168.208 |
| SMILES | CC[C@@H](C1=CC(C)=C(F)C=C1)O |
| Synonyms | (1S)-1-(4-fluoro-3-methylphenyl)propan-1-ol,
1175913-39-9,
ZINC32006493,
AKOS017514862,
NE30000,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.095043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.21g/mol |
| Monoisotopic Mass | 168.095043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number