Home Fluorides 170862-36-9
170862-36-9,MFCD30534384
Catalog No.:AA00AD1R

170862-36-9 | (2S,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile

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Technical Information
Catalog Number:
AA00AD1R
Chemical Name:
(2S,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile
CAS Number:
170862-36-9
Molecular Formula:
C13H12F2N4O
Molecular Weight:
278.2574
MDL Number:
MFCD30534384
SMILES:
CC(C#N)C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O
Properties
Computed Properties
 
Complexity:
388  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
0.9  

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SDS
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Tags:170862-36-9 Molecular Formula|170862-36-9 MDL|170862-36-9 SMILES|170862-36-9 (2S,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile