705-29-3 | 3-(Trifluoromethyl)benzyl chloride

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$22.00	$15.00
25g	98%	in stock	$50.00	$35.00
100g	98%	in stock	$139.00	$97.00
500g	98%	in stock	$558.00	$391.00

Description

• Catalog Number: AB63361
• Chemical Name: 3-(Trifluoromethyl)benzyl chloride
• CAS Number: 705-29-3
• Molecular Formula: C8H6ClF3
• Molecular Weight: 194.5814496
• MDL Number: MFCD00000908
• SMILES: ClCc1cccc(c1)C(F)(F)F
• NSC Number: 5227

Computed Properties

• Complexity: 144
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• XLogP3: 3.5

Literature

• Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound.

  Journal of combinatorial chemistry 20090112

• Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction.

  Journal of combinatorial chemistry 20090112