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Home > Indoles and Oxindole > 89731-98-6
89731-98-6 | 1H-Indole-1-carboxamide, 2,3-dihydro-N-methyl-5,6-dinitro-
CAS No: 89731-98-6 Catalog No: AG0041T2 MDL No:
Product Description
Catalog Number:
AG0041T2
Chemical Name:
1H-Indole-1-carboxamide, 2,3-dihydro-N-methyl-5,6-dinitro-
CAS Number:
89731-98-6
Molecular Formula:
C10H10N4O5
Molecular Weight:
266.2102
IUPAC Name:
N-methyl-5,6-dinitro-2,3-dihydroindole-1-carboxamide
InChI:
InChI=1S/C10H10N4O5/c1-11-10(15)12-3-2-6-4-8(13(16)17)9(14(18)19)5-7(6)12/h4-5H,2-3H2,1H3,(H,11,15)
InChI Key:
DZBQFHNUOMZFPY-UHFFFAOYSA-N
SMILES:
CNC(=O)N1CCc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-]
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.065g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.213g/mol
Monoisotopic Mass:
266.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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