52950-18-2 | (R)-(-)-2-Chloromandelic acid

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$15.00	$10.00
25g	98%	in stock	$23.00	$16.00
100g	98%	in stock	$65.00	$45.00
500g	98%	in stock	$251.00	$176.00

Description

• Catalog Number: AB55418
• Chemical Name: (R)-(-)-2-Chloromandelic acid
• CAS Number: 52950-18-2
• Molecular Formula: C8H7ClO3
• Molecular Weight: 186.5924
• MDL Number: MFCD00798429
• SMILES: OC(=O)[C@@H](c1ccccc1Cl)O

Computed Properties

• Complexity: 172
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 1.5

Literature

• Resolution of 2-chloromandelic acid with (R)-(+)-N-benzyl-1-phenylethylamine: chiral discrimination mechanism.

  Chirality 20120501

• The isolation of a metastable conglomerate using a combined computational and controlled crystallization approach.

  Chemical communications (Cambridge, England) 20120214

• Identification and characterization of solid-state nature of 2-chloromandelic acid.

  Journal of pharmaceutical sciences 20090501

• The absorption, metabolism, and excretion of the novel neuromodulator RWJ-333369 (1,2-ethanediol, [1-2-chlorophenyl]-, 2-carbamate, [S]-) in humans.

  Drug metabolism and disposition: the biological fate of chemicals 20070401

• Metabolism and excretion of RWJ-333369 [1,2-ethanediol, 1-(2-chlorophenyl)-, 2-carbamate, (S)-] in mice, rats, rabbits, and dogs.

  Drug metabolism and disposition: the biological fate of chemicals 20070401