31736-73-9 | 1-(4-Bromophenyl)-3-chloropropan-1-one

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$14.00	$10.00
5g	98%	in stock	$25.00	$17.00
10g	98%	in stock	$38.00	$26.00
25g	98%	in stock	$73.00	$51.00
100g	98%	in stock	$216.00	$151.00

Description

• Catalog Number: AB66912
• Chemical Name: 1-(4-Bromophenyl)-3-chloropropan-1-one
• CAS Number: 31736-73-9
• Molecular Formula: C9H8BrClO
• Molecular Weight: 247.5162
• MDL Number: MFCD00018979
• SMILES: ClCCC(=O)c1ccc(cc1)Br
• NSC Number: 36071

Computed Properties

• Complexity: 153
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 2.8

Literature

• Theoretical and experimental studies of vibrational spectra and thermodynamical analysis of 3'-bromopropiophenone and 4'-bromo-3-chloropropiophenone.

  Journal of molecular modeling 20110701