89-87-2 | Benzene, 2,4-dimethyl-1-nitro-

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$16.00	$11.00
25g	>98.0%(GC)	in stock	$25.00	$18.00

Description

• Catalog Number: AI66050
• Chemical Name: Benzene, 2,4-dimethyl-1-nitro-
• CAS Number: 89-87-2
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.1626
• MDL Number: MFCD00007169
• SMILES: Cc1ccc(c(c1)C)[N+](=O)[O-]
• NSC Number: 50661

Computed Properties

• Complexity: 153
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• XLogP3: 2.7

Literature

• Investigation of the structural and harmonic vibrational properties of 2-nitro-, 4-nitro- and 5-nitro-m-xylene by ab initio and density functional theory.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091015