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1351835-96-5,MFCD20748288
Catalog No.:AA01DNW1

1351835-96-5 | 1-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-yl-1H-1,2,3-triazole-4-carboxylic acid

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Technical Information
Catalog Number:
AA01DNW1
Chemical Name:
1-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-yl-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1351835-96-5
Molecular Formula:
C16H13ClN4O4
Molecular Weight:
360.7518
MDL Number:
MFCD20748288
SMILES:
COc1cc(OC)c(cc1n1nnc(c1c1ccncc1)C(=O)O)Cl
Properties
Computed Properties
 
Complexity:
465  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
2.4  

Literature
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Additional Info:
SDS
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Tags:1351835-96-5 Molecular Formula|1351835-96-5 MDL|1351835-96-5 SMILES|1351835-96-5 1-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-yl-1H-1,2,3-triazole-4-carboxylic acid