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949513-12-6,MFCD20921572
Catalog No.:AA00IIL6

949513-12-6 | 4-Amino-5-ethynyl-2-(trifluoromethyl)benzonitrile

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Technical Information
Catalog Number:
AA00IIL6
Chemical Name:
4-Amino-5-ethynyl-2-(trifluoromethyl)benzonitrile
CAS Number:
949513-12-6
Molecular Formula:
C10H5F3N2
Molecular Weight:
210.1553
MDL Number:
MFCD20921572
SMILES:
N#Cc1cc(C#C)c(cc1C(F)(F)F)N
Properties
Computed Properties
 
Complexity:
330  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.1  

Literature
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SDS
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Tags:949513-12-6 Molecular Formula|949513-12-6 MDL|949513-12-6 SMILES|949513-12-6 4-Amino-5-ethynyl-2-(trifluoromethyl)benzonitrile