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Home > Nitro Compounds > 89010-37-7
89010-37-7 | 1H-1,2,4-Triazole-3-carboxamide, 5-(4-nitrophenyl)-1-phenyl-
CAS No: 89010-37-7 Catalog No: AG0043K8 MDL No:
Product Description
Catalog Number:
AG0043K8
Chemical Name:
1H-1,2,4-Triazole-3-carboxamide, 5-(4-nitrophenyl)-1-phenyl-
CAS Number:
89010-37-7
Molecular Formula:
C15H11N5O3
Molecular Weight:
309.2795
IUPAC Name:
5-(4-nitrophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C15H11N5O3/c16-13(21)14-17-15(10-6-8-12(9-7-10)20(22)23)19(18-14)11-4-2-1-3-5-11/h1-9H,(H2,16,21)
InChI Key:
RRBQNTVUJLSJQD-UHFFFAOYSA-N
SMILES:
NC(=O)c1nn(c(n1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.285g/mol
Monoisotopic Mass:
309.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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