| CAS Number | 1181600-68-9 |
| Catalog Number | AG01A341(AGN-PC-0WO4AN) |
| Chemical Name | α-Cyclopropyl-4-fluoro-3-methylbenzenemethanol
|
| IUPAC Name | cyclopropyl-(4-fluoro-3-methylphenyl)methanol |
| InChI | InChI=1S/C11H13FO/c1-7-6-9(4-5-10(7)12)11(13)8-2-3-8/h4-6,8,11,13H,2-3H2,1H3 |
| InChI Key | YBUARYQDBOZGOK-UHFFFAOYSA-N |
| MDL Number | MFCD11934895 |
| Molecular Formula | C11H13FO |
| Molecular Weight | 180.2187 |
| SMILES | C(O)(c1cc(C)c(F)cc1)C1CC1 |
| Synonyms | cyclopropyl(4-fluoro-3-methylphenyl)methanol,
1181600-68-9,
(Cyclopropyl)(4-fluoro-3-methylphenyl)methanol,
SCHEMBL8418336,
AKOS012085512,
NE25516,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.222g/mol |
| Monoisotopic Mass | 180.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number