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Home > Indoles and Oxindole > 33723-32-9
33723-32-9 | 1H-Indole,3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-
CAS No: 33723-32-9 Catalog No: AG007IX5 MDL No:MFCD04612892
Product Description
Catalog Number:
AG007IX5
Chemical Name:
1H-Indole,3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-
CAS Number:
33723-32-9
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
MDL Number:
MFCD04612892
IUPAC Name:
3-[1-(2,3-dimethoxyphenyl)-2-nitroethyl]-1H-indole
InChI:
InChI=1S/C18H18N2O4/c1-23-17-9-5-7-13(18(17)24-2)15(11-20(21)22)14-10-19-16-8-4-3-6-12(14)16/h3-10,15,19H,11H2,1-2H3
InChI Key:
QSSRNEAHPFPSJZ-UHFFFAOYSA-N
SMILES:
COc1c(OC)cccc1C(c1c[nH]c2c1cccc2)C[N+](=O)[O-]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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