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Home > Indoles and Oxindole > 1214900-72-7
1214900-72-7 | 1H-Isoindol-1-one, 2,3-dihydro-3,3-dimethyl-6-nitro-
CAS No: 1214900-72-7 Catalog No: AG001525 MDL No:MFCD28398063
Product Description
Catalog Number:
AG001525
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3,3-dimethyl-6-nitro-
CAS Number:
1214900-72-7
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD28398063
IUPAC Name:
3,3-dimethyl-6-nitro-2H-isoindol-1-one
InChI:
InChI=1S/C10H10N2O3/c1-10(2)8-4-3-6(12(14)15)5-7(8)9(13)11-10/h3-5H,1-2H3,(H,11,13)
InChI Key:
LQWDYKNVIZRQSN-UHFFFAOYSA-N
SMILES:
O=C1NC(c2c1cc(cc2)[N+](=O)[O-])(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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