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Home Amines 339107-12-9
339107-12-9,MFCD00138328
Catalog No.:AA00ISGP

339107-12-9 | methyl 4-({[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzoate

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Technical Information
Catalog Number:
AA00ISGP
Chemical Name:
methyl 4-({[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzoate
CAS Number:
339107-12-9
Molecular Formula:
C13H10F3N3O3
Molecular Weight:
313.2320
MDL Number:
MFCD00138328
SMILES:
COC(=O)c1ccc(cc1)NC=C1C(=O)NN=C1C(F)(F)F
Properties
Computed Properties
 
Complexity:
520  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
2  

Literature
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Additional Info:
SDS
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Tags:339107-12-9 Molecular Formula|339107-12-9 MDL|339107-12-9 SMILES|339107-12-9 methyl 4-({[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzoate