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1038738-53-2,MFCD12559986
Catalog No.:AA01C436

1038738-53-2 | 1-(3-chloro-2-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid

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Technical Information
Catalog Number:
AA01C436
Chemical Name:
1-(3-chloro-2-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
CAS Number:
1038738-53-2
Molecular Formula:
C13H10ClFN2O2
Molecular Weight:
280.6821
MDL Number:
MFCD12559986
SMILES:
OC(=O)c1nn(c2c1CCC2)c1cccc(c1F)Cl
Properties
Computed Properties
 
Complexity:
371  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.2  

Literature
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Additional Info:
SDS
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Tags:1038738-53-2 Molecular Formula|1038738-53-2 MDL|1038738-53-2 SMILES|1038738-53-2 1-(3-chloro-2-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid