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Home > Indoles and Oxindole > 64640-78-4
64640-78-4 | 1H-Indole, 3-[5-(4-nitrophenyl)-1H-pyrazol-3-yl]-
CAS No: 64640-78-4 Catalog No: AG006S51 MDL No:
Product Description
Catalog Number:
AG006S51
Chemical Name:
1H-Indole, 3-[5-(4-nitrophenyl)-1H-pyrazol-3-yl]-
CAS Number:
64640-78-4
Molecular Formula:
C17H12N4O2
Molecular Weight:
304.3028
IUPAC Name:
3-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]-1H-indole
InChI:
InChI=1S/C17H12N4O2/c22-21(23)12-7-5-11(6-8-12)16-9-17(20-19-16)14-10-18-15-4-2-1-3-13(14)15/h1-10,18H,(H,19,20)
InChI Key:
DEUSNTVDSHBYHN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1[nH]nc(c1)c1c[nH]c2c1cccc2
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.309g/mol
Monoisotopic Mass:
304.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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