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Home Carboxys 1H-1,2,4-Triazole-3-carboxylicacid, 1,5-diphenyl-

1H-1,2,4-Triazole-3-carboxylicacid, 1,5-diphenyl-

CAS No.:
24058-92-2
Catalog Number:
AG006XFF
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
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Product Description
Catalog Number:
AG006XFF
Chemical Name:
1H-1,2,4-Triazole-3-carboxylicacid, 1,5-diphenyl-
CAS Number:
24058-92-2
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
MDL Number:
MFCD02679989
IUPAC Name:
1,5-diphenyl-1,2,4-triazole-3-carboxylic acid
InChI:
InChI=1S/C15H11N3O2/c19-15(20)13-16-14(11-7-3-1-4-8-11)18(17-13)12-9-5-2-6-10-12/h1-10H,(H,19,20)
InChI Key:
RBJKFWPNGGRTOV-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(n(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.085g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.272g/mol
Monoisotopic Mass:
265.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties