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Home > Indoles and Oxindole > 135437-77-3
135437-77-3 | 2H-Indol-2-one, 1-ethyl-1,3-dihydro-3,3-dimethyl-5-nitro-
CAS No: 135437-77-3 Catalog No: AG007LFF MDL No:
Product Description
Catalog Number:
AG007LFF
Chemical Name:
2H-Indol-2-one, 1-ethyl-1,3-dihydro-3,3-dimethyl-5-nitro-
CAS Number:
135437-77-3
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
IUPAC Name:
1-ethyl-3,3-dimethyl-5-nitroindol-2-one
InChI:
InChI=1S/C12H14N2O3/c1-4-13-10-6-5-8(14(16)17)7-9(10)12(2,3)11(13)15/h5-7H,4H2,1-3H3
InChI Key:
DOVFKPPYNYONNX-UHFFFAOYSA-N
SMILES:
CCN1c2ccc(cc2C(C1=O)(C)C)[N+](=O)[O-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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