Home Fluorides 956742-33-9
956742-33-9,MFCD03844842
Catalog No.:AA00IOQV

956742-33-9 | 4-[4-cyano-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid

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Technical Information
Catalog Number:
AA00IOQV
Chemical Name:
4-[4-cyano-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid
CAS Number:
956742-33-9
Molecular Formula:
C12H6F3N3O2
Molecular Weight:
281.1901
MDL Number:
MFCD03844842
SMILES:
N#Cc1cnn(c1C(F)(F)F)c1ccc(cc1)C(=O)O
Properties
Computed Properties
 
Complexity:
423  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.1  

Literature
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SDS
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Tags:956742-33-9 Molecular Formula|956742-33-9 MDL|956742-33-9 SMILES|956742-33-9 4-[4-cyano-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid