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842977-29-1,MFCD06809616
Catalog No.:AA004TF3

842977-29-1 | 2-Chloro-4-(4H-1,2,4-triazol-4-yl)benzoic acid

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500mg
1 week  
$408.00   $285.00
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Technical Information
Catalog Number:
AA004TF3
Chemical Name:
2-Chloro-4-(4H-1,2,4-triazol-4-yl)benzoic acid
CAS Number:
842977-29-1
Molecular Formula:
C9H6ClN3O2
Molecular Weight:
223.6158
MDL Number:
MFCD06809616
SMILES:
OC(=O)c1ccc(cc1Cl)n1cnnc1
Properties
Computed Properties
 
Complexity:
246  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.4  

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SDS
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Tags:842977-29-1 Molecular Formula|842977-29-1 MDL|842977-29-1 SMILES|842977-29-1 2-Chloro-4-(4H-1,2,4-triazol-4-yl)benzoic acid