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Home > Indoles and Oxindole > 3484-17-1
3484-17-1 | 2-ethyl-1-methyl-3,5-dinitro-1h-indole
CAS No: 3484-17-1 Catalog No: AG007H79 MDL No:
Product Description
Catalog Number:
AG007H79
Chemical Name:
2-ethyl-1-methyl-3,5-dinitro-1h-indole
CAS Number:
3484-17-1
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
IUPAC Name:
2-ethyl-1-methyl-3,5-dinitroindole
InChI:
InChI=1S/C11H11N3O4/c1-3-9-11(14(17)18)8-6-7(13(15)16)4-5-10(8)12(9)2/h4-6H,3H2,1-2H3
InChI Key:
GIBAWVVBJMJZNQ-UHFFFAOYSA-N
SMILES:
CCc1c([N+](=O)[O-])c2c(n1C)ccc(c2)[N+](=O)[O-]
NSC Number:
131899
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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