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872682-10-5 | 1H-Indazole, 1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-
CAS No: 872682-10-5 Catalog No: AG004I9P MDL No:
Product Description
Catalog Number:
AG004I9P
Chemical Name:
1H-Indazole, 1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-
CAS Number:
872682-10-5
Molecular Formula:
C22H20N2O
Molecular Weight:
328.4070
IUPAC Name:
1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
InChI:
InChI=1S/C22H20N2O/c1-16-10-12-18(13-11-16)22-20-8-3-4-9-21(20)24(23-22)15-17-6-5-7-19(14-17)25-2/h3-14H,15H2,1-2H3
InChI Key:
ZTFUXENZKJHLOU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Cn1nc(c2c1cccc2)c1ccc(cc1)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.415g/mol
Monoisotopic Mass:
328.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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