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305856-19-3 | Benzamide, N-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-4-nitro-
CAS No: 305856-19-3 Catalog No: AG0030M3 MDL No:
Product Description
Catalog Number:
AG0030M3
Chemical Name:
Benzamide, N-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-4-nitro-
CAS Number:
305856-19-3
Molecular Formula:
C15H9N3O5
Molecular Weight:
311.2491
IUPAC Name:
N-(1,3-dioxoisoindol-2-yl)-4-nitrobenzamide
InChI:
InChI=1S/C15H9N3O5/c19-13(9-5-7-10(8-6-9)18(22)23)16-17-14(20)11-3-1-2-4-12(11)15(17)21/h1-8H,(H,16,19)
InChI Key:
BRNUNGQDJMNVOJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])NN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.054g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.253g/mol
Monoisotopic Mass:
311.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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