17601-94-4 | 2-Amino-3-bromo-5-nitrobenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$12.00	$8.00
25g	98%	in stock	$33.00	$23.00
100g	98%	in stock	$72.00	$50.00
500g	98%	in stock	$339.00	$237.00

Description

• Catalog Number: AA94904
• Chemical Name: 2-Amino-3-bromo-5-nitrobenzonitrile
• CAS Number: 17601-94-4
• Molecular Formula: C7H4BrN3O2
• Molecular Weight: 242.0296
• MDL Number: MFCD00054185
• SMILES: N#Cc1cc(cc(c1N)Br)[N+](=O)[O-]

Computed Properties

• Complexity: 256
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• XLogP3: 2

Literature

• Hydrogen bonding in C-substituted nitroanilines: sheets built from alternating R(2)(2)(12) and R(6)(6)(36) rings in 2-bromo-6-cyano-4-nitroaniline.

  Acta crystallographica. Section C, Crystal structure communications 20020201