5445-26-1 | Ethyl 4-nitrophenylacetate

Packsize	Purity	Availability	Price	Discounted Price
1g	99%	in stock	$15.00	$10.00
5g	99%	in stock	$18.00	$12.00
25g	99%(GC)	in stock	$40.00	$28.00
100g	98%	in stock	$106.00	$75.00
500g	98%	in stock	$387.00	$271.00

Description

• Catalog Number: AB73879
• Chemical Name: Ethyl 4-nitrophenylacetate
• CAS Number: 5445-26-1
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.1986
• MDL Number: MFCD00017046
• SMILES: CCOC(=O)Cc1ccc(cc1)[N+](=O)[O-]
• NSC Number: 21986

Computed Properties

• Complexity: 228
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• XLogP3: 2.1

Literature

• Vibrational spectral investigation and Natural Bond Orbital analysis of anti-rheumatoid drug ethyl 4-nitrophenylacetate--DFT approach.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121201

• Ethyl 4-nitro-phenyl-acetate.

  Acta crystallographica. Section E, Structure reports online 20080201