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Home Amines 196804-60-1
196804-60-1,MFCD00176540
Catalog No.:AA00J6OH

196804-60-1 | (2E)-4-[(3-chloro-4-fluorophenyl)amino]-4-oxobut-2-enoic acid

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Technical Information
Catalog Number:
AA00J6OH
Chemical Name:
(2E)-4-[(3-chloro-4-fluorophenyl)amino]-4-oxobut-2-enoic acid
CAS Number:
196804-60-1
Molecular Formula:
C10H7ClFNO3
Molecular Weight:
243.6189
MDL Number:
MFCD00176540
SMILES:
O=C(Nc1ccc(c(c1)Cl)F)/C=C/C(=O)O
Properties
Computed Properties
 
Complexity:
308  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.6  

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Additional Info:
SDS
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Tags:196804-60-1 Molecular Formula|196804-60-1 MDL|196804-60-1 SMILES|196804-60-1 (2E)-4-[(3-chloro-4-fluorophenyl)amino]-4-oxobut-2-enoic acid