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872682-06-9 | 1H-Indazole, 3-(4-methylphenyl)-1-[(2-methylphenyl)methyl]-
CAS No: 872682-06-9 Catalog No: AG004I9Q MDL No:
Product Description
Catalog Number:
AG004I9Q
Chemical Name:
1H-Indazole, 3-(4-methylphenyl)-1-[(2-methylphenyl)methyl]-
CAS Number:
872682-06-9
Molecular Formula:
C22H20N2
Molecular Weight:
312.4076
IUPAC Name:
3-(4-methylphenyl)-1-[(2-methylphenyl)methyl]indazole
InChI:
InChI=1S/C22H20N2/c1-16-11-13-18(14-12-16)22-20-9-5-6-10-21(20)24(23-22)15-19-8-4-3-7-17(19)2/h3-14H,15H2,1-2H3
InChI Key:
LEBDZTKVBKFWNG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nn(c2c1cccc2)Cc1ccccc1C
Properties
Complexity:
401
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
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