| CAS Number | 1341929-49-4 |
| Catalog Number | AG01B53H |
| Chemical Name | [1-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]methanol |
| IUPAC Name | [1-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]methanol |
| InChI | InChI=1S/C12H16FNO/c1-9-6-11(2-3-12(9)13)14-5-4-10(7-14)8-15/h2-3,6,10,15H,4-5,7-8H2,1H3 |
| InChI Key | KGWPQLZZDAFDEM-UHFFFAOYSA-N |
| MDL Number | MFCD20431347 |
| Molecular Formula | C12H16FNO |
| Molecular Weight | 209.2599 |
| SMILES | CC1=C(F)C=CC(N2CC(CO)CC2)=C1 |
| Synonyms | [1-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]methanol,
1341929-49-4,
AKOS014198327,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.264g/mol |
| Monoisotopic Mass | 209.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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