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Home > Indoles and Oxindole > 114985-63-6
114985-63-6 | 2H-Indol-2-one, 1-acetyl-1,3-dihydro-5-nitro-
CAS No: 114985-63-6 Catalog No: AG000FJK MDL No:MFCD00593907
Product Description
Catalog Number:
AG000FJK
Chemical Name:
2H-Indol-2-one, 1-acetyl-1,3-dihydro-5-nitro-
CAS Number:
114985-63-6
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD00593907
IUPAC Name:
1-acetyl-5-nitro-3H-indol-2-one
InChI:
InChI=1S/C10H8N2O4/c1-6(13)11-9-3-2-8(12(15)16)4-7(9)5-10(11)14/h2-4H,5H2,1H3
InChI Key:
NBFVFIMXPGSTOC-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1C(=O)C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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