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1798004-50-8
Catalog No.:AA01CBN9

1798004-50-8 | Diclazuril 6-Carboxylic Acid Butyl Ester

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  • Technical Information
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Technical Information
Catalog Number:
AA01CBN9
Chemical Name:
Diclazuril 6-Carboxylic Acid Butyl Ester
CAS Number:
1798004-50-8
Molecular Formula:
C22H17Cl3N4O4
Molecular Weight:
507.7538
SMILES:
CCCCOC(=O)c1nn(c2cc(Cl)c(c(c2)Cl)C(c2ccc(cc2)Cl)C#N)c(=O)[nH]c1=O
Properties
Computed Properties
 
Complexity:
825  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.6  

Literature
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SDS
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Tags:1798004-50-8 Molecular Formula|1798004-50-8 MDL|1798004-50-8 SMILES|1798004-50-8 Diclazuril 6-Carboxylic Acid Butyl Ester
Catalog No.: AA01CBN9
1798004-50-8
1798004-50-8 | Diclazuril 6-Carboxylic Acid Butyl Ester
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA01CBN9
Chemical Name: Diclazuril 6-Carboxylic Acid Butyl Ester
CAS Number: 1798004-50-8
Molecular Formula: C22H17Cl3N4O4
Molecular Weight: 507.7538
SMILES: CCCCOC(=O)c1nn(c2cc(Cl)c(c(c2)Cl)C(c2ccc(cc2)Cl)C#N)c(=O)[nH]c1=O
Properties
Complexity: 825  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 33  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.6  
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