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Home > Indoles and Oxindole > 174274-85-2
174274-85-2 | 2-(tert-Butyl)-5-nitro-1H-indole
CAS No: 174274-85-2 Catalog No: AG007UOM MDL No:MFCD05224888
Product Description
Catalog Number:
AG007UOM
Chemical Name:
2-(tert-Butyl)-5-nitro-1H-indole
CAS Number:
174274-85-2
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD05224888
IUPAC Name:
2-tert-butyl-5-nitro-1H-indole
InChI:
InChI=1S/C12H14N2O2/c1-12(2,3)11-7-8-6-9(14(15)16)4-5-10(8)13-11/h4-7,13H,1-3H3
InChI Key:
KWEGNNIENUBTCE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cc([nH]2)C(C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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