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89010-43-5

89010-43-5 | 1H-1,2,4-Triazole-3-carboxamide, 5-(3,4-dichlorophenyl)-1-phenyl-

CAS No: 89010-43-5 Catalog No: AG0042V5 MDL No:

Product Description

Catalog Number:
AG0042V5
Chemical Name:
1H-1,2,4-Triazole-3-carboxamide, 5-(3,4-dichlorophenyl)-1-phenyl-
CAS Number:
89010-43-5
Molecular Formula:
C15H10Cl2N4O
Molecular Weight:
333.1721
IUPAC Name:
5-(3,4-dichlorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C15H10Cl2N4O/c16-11-7-6-9(8-12(11)17)15-19-14(13(18)22)20-21(15)10-4-2-1-3-5-10/h1-8H,(H2,18,22)
InChI Key:
BLFWTRMFSGYAFM-UHFFFAOYSA-N
SMILES:
NC(=O)c1nn(c(n1)c1ccc(c(c1)Cl)Cl)c1ccccc1

Properties

Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.023g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.172g/mol
Monoisotopic Mass:
332.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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