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866008-65-3,MFCD05670150
Catalog No.:AA00IT6A

866008-65-3 | 1-(1-ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea

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Technical Information
Catalog Number:
AA00IT6A
Chemical Name:
1-(1-ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea
CAS Number:
866008-65-3
Molecular Formula:
C16H17F3N2O
Molecular Weight:
310.3142
MDL Number:
MFCD05670150
SMILES:
C#CC1(CCCCC1)NC(=O)Nc1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
446  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
3.5  

Literature
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SDS
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Tags:866008-65-3 Molecular Formula|866008-65-3 MDL|866008-65-3 SMILES|866008-65-3 1-(1-ethynylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea