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64709-57-5,MFCD00065977
Catalog No.:AA003OQG

64709-57-5 | (S)-2-(2-Chloroacetamido)-3-(1H-indol-3-yl)propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
2 weeks  
$858.00   $600.00
- +
2g
2 weeks  
$1,266.00   $886.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003OQG
Chemical Name:
(S)-2-(2-Chloroacetamido)-3-(1H-indol-3-yl)propanoic acid
CAS Number:
64709-57-5
Molecular Formula:
C13H13ClN2O3
Molecular Weight:
280.7069
MDL Number:
MFCD00065977
SMILES:
ClCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2
Properties
Computed Properties
 
Complexity:
351  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
5  
XLogP3:
1.2  

Literature

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

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SDS
Tags:64709-57-5 Molecular Formula|64709-57-5 MDL|64709-57-5 SMILES|64709-57-5 (S)-2-(2-Chloroacetamido)-3-(1H-indol-3-yl)propanoic acid