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Home > Indoles and Oxindole > 1020722-21-7
1020722-21-7 | 1H-Indole, 2-(1,1-dimethylethyl)-7-(4-methyl-1-piperazinyl)-4-nitro-
CAS No: 1020722-21-7 Catalog No: AG0006K3 MDL No:MFCD09997082
Product Description
Catalog Number:
AG0006K3
Chemical Name:
1H-Indole, 2-(1,1-dimethylethyl)-7-(4-methyl-1-piperazinyl)-4-nitro-
CAS Number:
1020722-21-7
Molecular Formula:
C17H24N4O2
Molecular Weight:
316.3981
MDL Number:
MFCD09997082
IUPAC Name:
2-tert-butyl-7-(4-methylpiperazin-1-yl)-4-nitro-1H-indole
InChI:
InChI=1S/C17H24N4O2/c1-17(2,3)15-11-12-13(21(22)23)5-6-14(16(12)18-15)20-9-7-19(4)8-10-20/h5-6,11,18H,7-10H2,1-4H3
InChI Key:
BCHWSKUMCHMHDY-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(c2c1[nH]c(c2)C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.19g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.405g/mol
Monoisotopic Mass:
316.19g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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