Home Other Building Blocks 3-Chloromandelic acid

3-Chloromandelic acid

CAS No.:
16273-37-3
Catalog Number:
AG001TD6
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
$18
- +
25g
98%
In Stock USA
United States
$62
- +
100g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG001TD6
Chemical Name:
3-Chloromandelic acid
CAS Number:
16273-37-3
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD00829409
IUPAC Name:
2-(3-chlorophenyl)-2-hydroxyacetic acid
InChI:
InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChI Key:
SAMVPMGKGGLIPF-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccc(c1)Cl)O
EC Number:
240-376-5
NSC Number:
126599
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Asymmetric synthesis and evaluation of a hydroxyphenylamide voltage-gated sodium channel blocker in human prostate cancer xenografts. Bioorganic & medicinal chemistry 20120315
Optimization of enantioselective synthesis of methyl (R)-2-chloromandelate by whole cells of Saccharomyces cerevisiae. Biotechnology letters 20101001
Enantiomeric 3-chloromandelic acid system: binary melting point phase diagram, ternary solubility phase diagrams and polymorphism. Journal of pharmaceutical sciences 20100901
Preparation of (R)-(-)-mandelic acid and its derivatives from racemates by enantioselective degradation with a newly isolated bacterial strain Alcaligenes sp. ECU0401. Bioprocess and biosystems engineering 20080801
Highly enantioselective and efficient synthesis of methyl (R)-o-chloromandelate with recombinant E. coli: toward practical and green access to clopidogrel. Organic & biomolecular chemistry 20070421
Properties