16533-71-4 | 4-Methyl-3,5-dinitrobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$15.00	$10.00
1g	95%	in stock	$16.00	$11.00
10g	95%	in stock	$18.00	$12.00
25g	95%	in stock	$25.00	$17.00
100g	95%	in stock	$52.00	$36.00
500g	95%	in stock	$208.00	$146.00

Description

• Catalog Number: AA88071
• Chemical Name: 4-Methyl-3,5-dinitrobenzoic acid
• CAS Number: 16533-71-4
• Molecular Formula: C8H6N2O6
• Molecular Weight: 226.143
• MDL Number: MFCD00007175
• SMILES: [O-][N+](=O)c1cc(cc(c1C)[N+](=O)[O-])C(=O)O
• NSC Number: 5589

Computed Properties

• Complexity: 296
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.3

Literature

• (Methanol-κO)(2-methyl-3,5-dinitro-benzoato-κO)triphenyl-tin(IV).

  Acta crystallographica. Section E, Structure reports online 20110501

• Hydrogen bond mediated open-frame networks in coordination polymers: supramolecular assemblies of Pr(III) and 3,5-dinitro-4-methylbenzoic acid with aza-donor compounds.

  Chemical communications (Cambridge, England) 20050414

• Solvent-dependent coordination polymers: cobalt complexes of 3,5-dinitrobenzoic acid and 3,5-dinitro-4-methylbenzoic acid with 4,4'-bipyrdine.

  Inorganic chemistry 20040126