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Home > Indoles and Oxindole > 1248559-59-2
1248559-59-2 | 1-Ethyl-3,3,7-trimethyl-5-nitro-1,3-dihydro-2H-indol-2-one
CAS No: 1248559-59-2 Catalog No: AG00HHTD MDL No:MFCD17265872
Product Description
Catalog Number:
AG00HHTD
Chemical Name:
1-Ethyl-3,3,7-trimethyl-5-nitro-1,3-dihydro-2H-indol-2-one
CAS Number:
1248559-59-2
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD17265872
IUPAC Name:
1-ethyl-3,3,7-trimethyl-5-nitroindol-2-one
InChI:
InChI=1S/C13H16N2O3/c1-5-14-11-8(2)6-9(15(17)18)7-10(11)13(3,4)12(14)16/h6-7H,5H2,1-4H3
InChI Key:
AXOWQJSPUAUQKT-UHFFFAOYSA-N
SMILES:
CCN1c2c(C)cc(cc2C(C1=O)(C)C)[N+](=O)[O-]
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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