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76496-63-4,MFCD00798439
Catalog No.:AA005XPR

76496-63-4 | (S)-4-Chloromandelic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$18.00   $13.00
- +
250mg
98%
in stock  
$28.00   $20.00
- +
1g
98%
in stock  
$61.00   $43.00
- +
5g
98%
in stock  
$249.00   $174.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA005XPR
Chemical Name:
(S)-4-Chloromandelic acid
CAS Number:
76496-63-4
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD00798439
SMILES:
O[C@@H](c1ccc(cc1)Cl)C(=O)O
Properties
Properties
 
Form:
Solid  
MP:
113 - 116°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
164  
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:
1.2  

Literature

Title: (R)-1-Phenyl-ethanaminium (S)-4-chloro-mandelate.

Journal: Acta crystallographica. Section E, Structure reports online 20080301

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SDS
Tags:76496-63-4 Molecular Formula|76496-63-4 MDL|76496-63-4 SMILES|76496-63-4 (S)-4-Chloromandelic acid