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Home > Indoles and Oxindole > 1798032-71-9
1798032-71-9 | 6-nitro-1-(5-nitrothiophene-2-carbonyl)-2,3-dihydro-1H-indole
CAS No: 1798032-71-9 Catalog No: AG01C14Y MDL No:MFCD29041283
Product Description
Catalog Number:
AG01C14Y
Chemical Name:
6-nitro-1-(5-nitrothiophene-2-carbonyl)-2,3-dihydro-1H-indole
CAS Number:
1798032-71-9
Molecular Formula:
C13H9N3O5S
Molecular Weight:
319.2927
MDL Number:
MFCD29041283
IUPAC Name:
(6-nitro-2,3-dihydroindol-1-yl)-(5-nitrothiophen-2-yl)methanone
InChI:
InChI=1S/C13H9N3O5S/c17-13(11-3-4-12(22-11)16(20)21)14-6-5-8-1-2-9(15(18)19)7-10(8)14/h1-4,7H,5-6H2
InChI Key:
CHBMUPKNYHVZFO-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c1cc(cc2)[N+](=O)[O-])c1ccc(s1)[N+](=O)[O-]
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.026g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.291g/mol
Monoisotopic Mass:
319.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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