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Home Other Building Blocks (R)-(-)-2-Chloromandelic acid

(R)-(-)-2-Chloromandelic acid

CAS No.:
52950-18-2
Catalog Number:
AG003C2Q
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$15
- +
25g
98%
In Stock USA
United States
$38
- +
100g
98%
In Stock USA
United States
$107
- +
500g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG003C2Q
Chemical Name:
(R)-(-)-2-Chloromandelic acid
CAS Number:
52950-18-2
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD00798429
IUPAC Name:
(2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid
InChI:
InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
InChI Key:
RWOLDZZTBNYTMS-SSDOTTSWSA-N
SMILES:
OC(=O)[C@@H](c1ccccc1Cl)O
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
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
Properties