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872682-03-6 | 2H-Indazole, 3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-
CAS No: 872682-03-6 Catalog No: AG004LTK MDL No:
Product Description
Catalog Number:
AG004LTK
Chemical Name:
2H-Indazole, 3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-
CAS Number:
872682-03-6
Molecular Formula:
C22H20N2
Molecular Weight:
312.4076
IUPAC Name:
3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole
InChI:
InChI=1S/C22H20N2/c1-16-7-11-18(12-8-16)15-24-22(19-13-9-17(2)10-14-19)20-5-3-4-6-21(20)23-24/h3-14H,15H2,1-2H3
InChI Key:
YHDPAXYXJFIYGV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cn1nc2c(c1c1ccc(cc1)C)cccc2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.416g/mol
Monoisotopic Mass:
312.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Synthesis of N2-(substituted benzyl)-3-(4-methylphenyl)indazoles as novel anti-angiogenic agents. | Bioorganic & medicinal chemistry 20060115 |
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