1-(((2R,3S)-2-(2,5-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole
Properties
- Molecular formula
- C12H11F2N3O
- Molar mass
- 251.24 g/mol
- Exact mass
- 251.0870 Da
- logP
- 1.87Crippen estimate
- Polar surface area
- 43.2 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
- Stereocentres
- S, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
241479-73-2SMILES
C[C@H]1[C@](O1)(CN2C=NC=N2)C3=C(C=CC(=C3)F)FInChIKey
QYOWWJNQQPRWCO-QPUJVOFHSA-NInChI
InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-4-9(13)2-3-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 1-(((2R,3S)-2-(2,5-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole
Similar compounds
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds