Toluene-4-sulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl
- Product NameToluene-4-sulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl
- CAS159811-30-0
- MFC21H21F2N3O4S
- MW449.47
- EINECS
- MOL File159811-30-0.mol
Chemical Properties
| Boiling point | 608.1±65.0 °C(Predicted) |
| Density | 1.40±0.1 g/cm3(Predicted) |
| pka | 2.75±0.10(Predicted) |
| InChI | InChI=1/C21H21F2N3O4S/c1-14-3-6-20(31(27,28)29-2)17(7-14)15-9-21(30-10-15,11-26-13-24-12-25-26)18-5-4-16(22)8-19(18)23/h3-8,12-13,15H,9-11H2,1-2H3/t15-,21-/s3 |
| InChIKey | SVRQEEHLAKTYHP-TWAXCLBUNA-N |
| SMILES | C1(S(OC)(=O)=O)=CC=C(C)C=C1[C@H]1C[C@@](C2=CC=C(F)C=C2F)(CN2C=NC=N2)OC1 |&1:12,14,r| |