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Home > Indoles and Oxindole > 20870-89-7
20870-89-7 | 2H-Indol-2-one, 1,3-dihydro-1-methyl-5-nitro-
CAS No: 20870-89-7 Catalog No: AG002JUN MDL No:MFCD00159848
Product Description
Catalog Number:
AG002JUN
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-1-methyl-5-nitro-
CAS Number:
20870-89-7
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD00159848
IUPAC Name:
1-methyl-5-nitro-3H-indol-2-one
InChI:
InChI=1S/C9H8N2O3/c1-10-8-3-2-7(11(13)14)4-6(8)5-9(10)12/h2-4H,5H2,1H3
InChI Key:
QQYDOWGHCYCEQF-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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