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Home > Indoles and Oxindole > 89731-87-3
89731-87-3 | 1H-Indole-1-carboxamide, 2,3-dihydro-N-(4-nitrophenyl)-
CAS No: 89731-87-3 Catalog No: AG0041HP MDL No:
Product Description
Catalog Number:
AG0041HP
Chemical Name:
1H-Indole-1-carboxamide, 2,3-dihydro-N-(4-nitrophenyl)-
CAS Number:
89731-87-3
Molecular Formula:
C15H13N3O3
Molecular Weight:
283.2820
IUPAC Name:
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
InChI:
InChI=1S/C15H13N3O3/c19-15(16-12-5-7-13(8-6-12)18(20)21)17-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,16,19)
InChI Key:
XGBMFPPLXHVCJG-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c1cccc2)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.287g/mol
Monoisotopic Mass:
283.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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