96-74-2 | 2-Methanesulfonyl-4-nitroaniline

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$50.00	$35.00
5g	98%	in stock	$118.00	$83.00
25g	98%	in stock	$511.00	$358.00

Description

• Catalog Number: AI65177
• Chemical Name: 2-Methanesulfonyl-4-nitroaniline
• CAS Number: 96-74-2
• Molecular Formula: C7H8N2O4S
• Molecular Weight: 216.2144
• MDL Number: MFCD00044068
• SMILES: [O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)N

Computed Properties

• Complexity: 316
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.9

Literature

• Hydrogen bonding in C-substituted nitroanilines: a chain of R3 3(12)rings in 2-methanesulfonyl-4-nitroaniline.

  Acta crystallographica. Section C, Crystal structure communications 20040101