13290-96-5 | Dimethyl 5-nitroisophthalate

Packsize	Purity	Availability	Price	Discounted Price
25g	97%	in stock	$8.00	$6.00
100g	97%	in stock	$16.00	$11.00
500g	97%	in stock	$61.00	$43.00

Description

• Catalog Number: AA48210
• Chemical Name: Dimethyl 5-nitroisophthalate
• CAS Number: 13290-96-5
• Molecular Formula: C10H9NO6
• Molecular Weight: 239.18156000000002
• MDL Number: MFCD00008429
• SMILES: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC
• NSC Number: 93786

Computed Properties

• Complexity: 299
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• XLogP3: 1.9

Literature

• Dimethyl 5-nitro-isophthalate.

  Acta crystallographica. Section E, Structure reports online 20080901

• Synthesis, characterization, and in vivo skeletal localization of a new (99m)Tc-based multidentate phosphonate chelate: 5-Amino-1,3-bis(ethylamine-(N,N dimethyl diphosphonic acid) acetamido) benzene.

  Bioorganic & medicinal chemistry 20070115