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Home > Indoles and Oxindole > 651733-75-4
651733-75-4 | 1H-Isoindole-1,3(2H)-dione, 2-(3,5-dimethylphenyl)-5-nitro-
CAS No: 651733-75-4 Catalog No: AG00H858 MDL No:
Product Description
Catalog Number:
AG00H858
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3,5-dimethylphenyl)-5-nitro-
CAS Number:
651733-75-4
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
IUPAC Name:
2-(3,5-dimethylphenyl)-5-nitroisoindole-1,3-dione
InChI:
InChI=1S/C16H12N2O4/c1-9-5-10(2)7-12(6-9)17-15(19)13-4-3-11(18(21)22)8-14(13)16(17)20/h3-8H,1-2H3
InChI Key:
DLTZBYNCWXIOLR-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)N1C(=O)c2c(C1=O)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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