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89010-34-4 | 1H-1,2,4-Triazole-3-carboxamide, 5-(4-bromophenyl)-1-phenyl-
CAS No: 89010-34-4 Catalog No: AG0043K9 MDL No:
Product Description
Catalog Number:
AG0043K9
Chemical Name:
1H-1,2,4-Triazole-3-carboxamide, 5-(4-bromophenyl)-1-phenyl-
CAS Number:
89010-34-4
Molecular Formula:
C15H11BrN4O
Molecular Weight:
343.1780
IUPAC Name:
5-(4-bromophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C15H11BrN4O/c16-11-8-6-10(7-9-11)15-18-14(13(17)21)19-20(15)12-4-2-1-3-5-12/h1-9H,(H2,17,21)
InChI Key:
BOCLIOKBPGJGQC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc(nn1c1ccccc1)C(=O)N
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.012g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.184g/mol
Monoisotopic Mass:
342.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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