591-20-8 | 3-Bromophenol

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$15.00	$10.00
5g	95%	in stock	$19.00	$13.00
25g	98%	in stock	$26.00	$18.00
100g	98%	in stock	$75.00	$52.00
500g	98%	in stock	$299.00	$209.00

Description

• Catalog Number: AB44482
• Chemical Name: 3-Bromophenol
• CAS Number: 591-20-8
• Molecular Formula: C6H5BrO
• Molecular Weight: 173.0073
• MDL Number: MFCD00002253
• SMILES: Oc1cccc(c1)Br

Computed Properties

• Complexity: 74.9
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• XLogP3: 2.6

Literature

• Improved synthesis of a DNA-dependent protein kinase inhibitor IC86621.

  Archives of pharmacal research 20120301

• Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP) calculations on the structure of 3-Bromo phenol.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110201

• Importance of phenols structure on their activity as antinitrosating agents: A kinetic study.

  Journal of pharmacy & bioallied sciences 20110101

• Guest-induced supramolecular isomerism in inclusion complexes of T-shaped host 4,4-bis(4'-hydroxyphenyl)cyclohexanone.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20051104

• Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase.

  Journal of medicinal chemistry 20040729

• Crystal structures of cyclomaltohexaose (alpha-cyclodextrin) complexes with p-bromophenol and m-bromophenol.

  Carbohydrate research 20010518