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Home > Indoles and Oxindole > 820233-03-2
820233-03-2 | 1H-Indole, 2-methyl-3-[1-(nitromethyl)hexyl]-
CAS No: 820233-03-2 Catalog No: AG005D9N MDL No:
Product Description
Catalog Number:
AG005D9N
Chemical Name:
1H-Indole, 2-methyl-3-[1-(nitromethyl)hexyl]-
CAS Number:
820233-03-2
Molecular Formula:
C16H22N2O2
Molecular Weight:
274.3581
IUPAC Name:
2-methyl-3-(1-nitroheptan-2-yl)-1H-indole
InChI:
InChI=1S/C16H22N2O2/c1-3-4-5-8-13(11-18(19)20)16-12(2)17-15-10-7-6-9-14(15)16/h6-7,9-10,13,17H,3-5,8,11H2,1-2H3
InChI Key:
KQBACCGJHAVMAO-UHFFFAOYSA-N
SMILES:
CCCCCC(c1c(C)[nH]c2c1cccc2)C[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.364g/mol
Monoisotopic Mass:
274.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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