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Home > Indoles and Oxindole > 561012-67-7
561012-67-7 | 3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole
CAS No: 561012-67-7 Catalog No: AG019IGD MDL No:MFCD04612886
Product Description
Catalog Number:
AG019IGD
Chemical Name:
3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole
CAS Number:
561012-67-7
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
MDL Number:
MFCD04612886
IUPAC Name:
3-[1-(3-methoxyphenyl)-2-nitroethyl]-1H-indole
InChI:
InChI=1S/C17H16N2O3/c1-22-13-6-4-5-12(9-13)16(11-19(20)21)15-10-18-17-8-3-2-7-14(15)17/h2-10,16,18H,11H2,1H3
InChI Key:
MXUILFQSBWQEFA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(c1c[nH]c2c1cccc2)C[N+](=O)[O-]
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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