860612-21-1,MFCD03848395
Catalog No.:AA00IT22

860612-21-1 | 2-{5-oxo-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetic acid

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  • Technical Information
  • Properties
  • Literature
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  • Download SDS
Technical Information
Catalog Number:
AA00IT22
Chemical Name:
2-{5-oxo-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetic acid
CAS Number:
860612-21-1
Molecular Formula:
C11H8F3N3O4
Molecular Weight:
303.1941
MDL Number:
MFCD03848395
SMILES:
OC(=O)Cn1ncn(c1=O)c1ccc(cc1)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
447  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:860612-21-1 Molecular Formula|860612-21-1 MDL|860612-21-1 SMILES|860612-21-1 2-{5-oxo-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetic acid
Catalog No.: AA00IT22
860612-21-1,MFCD03848395
860612-21-1 | 2-{5-oxo-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetic acid
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: AA00IT22
Chemical Name: 2-{5-oxo-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetic acid
CAS Number: 860612-21-1
Molecular Formula: C11H8F3N3O4
Molecular Weight: 303.1941
MDL Number: MFCD03848395
SMILES: OC(=O)Cn1ncn(c1=O)c1ccc(cc1)OC(F)(F)F
Properties
Complexity: 447  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 21  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Literature fold

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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