CAS 13296-87-2 | Benzamide, 2,4-dinitro- | CAS Number 13296-87-2

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13296-87-2 | Benzamide, 2,4-dinitro-

CAS No: 13296-87-2 Catalog No: AG0011G3 MDL No:

Product Description

Catalog Number:

AG0011G3

Chemical Name:

Benzamide, 2,4-dinitro-

CAS Number:

13296-87-2

Molecular Formula:

C7H5N3O5

Molecular Weight:

211.1317

IUPAC Name:

2,4-dinitrobenzamide

InChI:

InChI=1S/C7H5N3O5/c8-7(11)5-2-1-4(9(12)13)3-6(5)10(14)15/h1-3H,(H2,8,11)

InChI Key:

UTESHVANCFLTQV-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(ccc1C(=O)N)[N+](=O)[O-]

Properties

Complexity:

294

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.133g/mol

Monoisotopic Mass:

211.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

135A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3

Literature

Title	Journal
18F-labeled pyrazolo[1,5-a]pyrimidine derivatives: synthesis from 2,4-dinitrobenzamide and tosylate precursors and comparative biological evaluation for tumor imaging with positron emission tomography.	Molecules (Basel, Switzerland) 20120327
Synthesis and structure-activity relationships for 2,4-dinitrobenzamide-5-mustards as prodrugs for the Escherichia coli nfsB nitroreductase in gene therapy.	Journal of medicinal chemistry 20070322