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Home > Indoles and Oxindole > 89024-37-3
89024-37-3 | 1H-Isoindole-1,3(2H)-dione, 2-[(3-methylphenyl)methyl]-5-nitro-
CAS No: 89024-37-3 Catalog No: AG0044CC MDL No:
Product Description
Catalog Number:
AG0044CC
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(3-methylphenyl)methyl]-5-nitro-
CAS Number:
89024-37-3
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
IUPAC Name:
2-[(3-methylphenyl)methyl]-5-nitroisoindole-1,3-dione
InChI:
InChI=1S/C16H12N2O4/c1-10-3-2-4-11(7-10)9-17-15(19)13-6-5-12(18(21)22)8-14(13)16(17)20/h2-8H,9H2,1H3
InChI Key:
WMZFYEWCWJEJMG-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)CN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
487
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:
2
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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