21161-11-5 | 2-Nitroisophthalic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$15.00	$10.00
10g	98%	in stock	$19.00	$13.00
25g	98%	in stock	$40.00	$28.00

Description

• Catalog Number: AB44194
• Chemical Name: 2-Nitroisophthalic acid
• CAS Number: 21161-11-5
• Molecular Formula: C8H5NO6
• Molecular Weight: 211.1284
• MDL Number: MFCD00017007
• SMILES: [O-][N+](=O)c1c(cccc1C(=O)O)C(=O)O

Computed Properties

• Complexity: 274
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 0.8

Literature

• A new two-dimensional cadmium metal-organic framework: poly[bis(4,7-diphenyl-1,10-phenanthroline)(μ3-5-nitroisophthalato)cadmium(II)].

  Acta crystallographica. Section C, Crystal structure communications 20121101

• catena-Poly[[[aqua-[2-(6-chloro-pyridin-3-yl)acetato-κO]sodium]-di-μ-aqua] monohydrate].

  Acta crystallographica. Section E, Structure reports online 20120501

• catena-Poly[[(3-methyl-sulfanyl-1,2,4-thia-diazole-5-thiol-ato)sodium]di-μ-aqua-κO:O].

  Acta crystallographica. Section E, Structure reports online 20100101

• Poly[[diaqua-(3-carb-oxy-5-nitro-ben-zo-ato)(μ-5-nitro-benzene-1,3-dicarboxyl-ato)neodymium(III)] 2.5-hydrate].

  Acta crystallographica. Section E, Structure reports online 20090901