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Home > Indoles and Oxindole > 872675-11-1
872675-11-1 | 1H-Indole, 1-(diphenylmethyl)-2-methyl-5-nitro-
CAS No: 872675-11-1 Catalog No: AG004LTR MDL No:
Product Description
Catalog Number:
AG004LTR
Chemical Name:
1H-Indole, 1-(diphenylmethyl)-2-methyl-5-nitro-
CAS Number:
872675-11-1
Molecular Formula:
C22H18N2O2
Molecular Weight:
342.3905
IUPAC Name:
1-benzhydryl-2-methyl-5-nitroindole
InChI:
InChI=1S/C22H18N2O2/c1-16-14-19-15-20(24(25)26)12-13-21(19)23(16)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22H,1H3
InChI Key:
OKWGGOMLODRIJZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cc(n2C(c1ccccc1)c1ccccc1)C
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.398g/mol
Monoisotopic Mass:
342.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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