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Home > Indoles and Oxindole > 2593-81-9
2593-81-9 | 1H-Isoindole-1,3(2H)-dione, 2-methyl-4-nitro-
CAS No: 2593-81-9 Catalog No: AG002R41 MDL No:
Product Description
Catalog Number:
AG002R41
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-methyl-4-nitro-
CAS Number:
2593-81-9
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
IUPAC Name:
2-methyl-4-nitroisoindole-1,3-dione
InChI:
InChI=1S/C9H6N2O4/c1-10-8(12)5-3-2-4-6(11(14)15)7(5)9(10)13/h2-4H,1H3
InChI Key:
FWIZOFDVGZCRTB-UHFFFAOYSA-N
SMILES:
O=C1N(C)C(=O)c2c1cccc2[N+](=O)[O-]
NSC Number:
58516
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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