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Home > Indoles and Oxindole > 872675-13-3
872675-13-3 | 1H-Indole-3-ethanol, 1-(diphenylmethyl)-2-methyl-5-nitro-
CAS No: 872675-13-3 Catalog No: AG004LTQ MDL No:
Product Description
Catalog Number:
AG004LTQ
Chemical Name:
1H-Indole-3-ethanol, 1-(diphenylmethyl)-2-methyl-5-nitro-
CAS Number:
872675-13-3
Molecular Formula:
C24H22N2O3
Molecular Weight:
386.4431
IUPAC Name:
2-(1-benzhydryl-2-methyl-5-nitroindol-3-yl)ethanol
InChI:
InChI=1S/C24H22N2O3/c1-17-21(14-15-27)22-16-20(26(28)29)12-13-23(22)25(17)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,24,27H,14-15H2,1H3
InChI Key:
BCUDOZMPAHVOML-UHFFFAOYSA-N
SMILES:
OCCc1c(C)n(c2c1cc(cc2)[N+](=O)[O-])C(c1ccccc1)c1ccccc1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.163g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.451g/mol
Monoisotopic Mass:
386.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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