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Home > Indoles and Oxindole > 142272-14-8
142272-14-8 | 1H-Indole-3-carboxamide, 1-ethyl-2,3-dihydro-N-methyl-5-nitro-2-oxo-
CAS No: 142272-14-8 Catalog No: AG001I3Z MDL No:
Product Description
Catalog Number:
AG001I3Z
Chemical Name:
1H-Indole-3-carboxamide, 1-ethyl-2,3-dihydro-N-methyl-5-nitro-2-oxo-
CAS Number:
142272-14-8
Molecular Formula:
C12H13N3O4
Molecular Weight:
263.2493
IUPAC Name:
1-ethyl-N-methyl-5-nitro-2-oxo-3H-indole-3-carboxamide
InChI:
InChI=1S/C12H13N3O4/c1-3-14-9-5-4-7(15(18)19)6-8(9)10(12(14)17)11(16)13-2/h4-6,10H,3H2,1-2H3,(H,13,16)
InChI Key:
QAJFFKPAEHBCBM-UHFFFAOYSA-N
SMILES:
CCN1C(=O)C(c2c1ccc(c2)[N+](=O)[O-])C(=O)NC
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.253g/mol
Monoisotopic Mass:
263.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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