Home Amines 338401-88-0
338401-88-0,MFCD01315398
Catalog No.:AA00IO96

338401-88-0 | methyl 2-{[(2E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino}benzoate

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Technical Information
Catalog Number:
AA00IO96
Chemical Name:
methyl 2-{[(2E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino}benzoate
CAS Number:
338401-88-0
Molecular Formula:
C13H12F3NO3
Molecular Weight:
287.2345
MDL Number:
MFCD01315398
SMILES:
COC(=O)c1ccccc1N/C(=C/C(=O)C(F)(F)F)/C
Properties
Computed Properties
 
Complexity:
404  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.6  

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SDS
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Tags:338401-88-0 Molecular Formula|338401-88-0 MDL|338401-88-0 SMILES|338401-88-0 methyl 2-{[(2E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino}benzoate