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Home > Indoles and Oxindole > 30490-21-2
30490-21-2 | 2H-Indol-2-one, 1,3-dihydro-5,7-dinitro-
CAS No: 30490-21-2 Catalog No: AG0030CB MDL No:MFCD02179614
Product Description
Catalog Number:
AG0030CB
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-5,7-dinitro-
CAS Number:
30490-21-2
Molecular Formula:
C8H5N3O5
Molecular Weight:
223.1424
MDL Number:
MFCD02179614
IUPAC Name:
5,7-dinitro-1,3-dihydroindol-2-one
InChI:
InChI=1S/C8H5N3O5/c12-7-2-4-1-5(10(13)14)3-6(11(15)16)8(4)9-7/h1,3H,2H2,(H,9,12)
InChI Key:
OHIHEPCCFSIXCK-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1)c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.144g/mol
Monoisotopic Mass:
223.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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