16588-34-4 | 4-Chloro-3-nitrobenzaldehyde

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$7.00	$5.00
5g	97%	in stock	$9.00	$7.00
10g	97%	in stock	$11.00	$8.00
25g	97%	in stock	$18.00	$13.00

Description

• Catalog Number: AA88422
• Chemical Name: 4-Chloro-3-nitrobenzaldehyde
• CAS Number: 16588-34-4
• Molecular Formula: C7H4ClNO3
• Molecular Weight: 185.5646
• MDL Number: MFCD00007078
• SMILES: O=Cc1ccc(c(c1)[N+](=O)[O-])Cl
• NSC Number: 68097

Computed Properties

• Complexity: 192
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• XLogP3: 1.7

Literature

• FT-IR, FT-Raman spectra, NBO, HOMO-LUMO and thermodynamic functions of 4-chloro-3-nitrobenzaldehyde based on ab initio HF and DFT calculations.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121201

• Nucleophilic catalysis of acylhydrazone equilibration for protein-directed dynamic covalent chemistry.

  Nature chemistry 20100601

• Substrate specificity of mouse aldo-keto reductase AKR7A5.

  Chemico-biological interactions 20030201

• Nitrobenzene compounds inhibit expression of VCAM-1.

  Bioorganic & medicinal chemistry letters 20010723