| Identification | Back Directory | [Name]
Efinaconazole Impurity 12 | [CAS]
2055038-60-1 | [Synonyms]
1-Piperidineethanol, α-(2,4-difluorophenyl)-β-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αR,βS)- | [Molecular Formula]
C18H22F2N4O | [MOL File]
2055038-60-1.mol | [Molecular Weight]
348.4 |
| Chemical Properties | Back Directory | [Boiling point ]
512.2±60.0 °C(Predicted) | [density ]
1.26±0.1 g/cm3(Predicted) | [pka]
12.11±0.29(Predicted) | [InChI]
InChI=1/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18+/s3 | [InChIKey]
NFEZZTICAUWDHU-RVFWCEGZNA-N | [SMILES]
[C@@](C1C=CC(F)=CC=1F)(O)(CN1N=CN=C1)[C@@H](N1CCC(=C)CC1)C |&1:0,16,r| |
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