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Home > Indoles and Oxindole > 96096-61-6
96096-61-6 | 1H-Indole, 6-methoxy-3-(2-nitroethyl)-
CAS No: 96096-61-6 Catalog No: AG005VL5 MDL No:
Product Description
Catalog Number:
AG005VL5
Chemical Name:
1H-Indole, 6-methoxy-3-(2-nitroethyl)-
CAS Number:
96096-61-6
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
6-methoxy-3-(2-nitroethyl)-1H-indole
InChI:
InChI=1S/C11H12N2O3/c1-16-9-2-3-10-8(4-5-13(14)15)7-12-11(10)6-9/h2-3,6-7,12H,4-5H2,1H3
InChI Key:
QEHSFHYUYBSZDH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]cc2CC[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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