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Home Nitro Compounds 85317-52-8
85317-52-8,MFCD06410829
Catalog No.:AA004LLW

85317-52-8 | 4-Nitro-phenylalanine methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$336.00   $235.00
- +
5g
96%
in stock  
$1,167.00   $817.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA004LLW
Chemical Name:
4-Nitro-phenylalanine methyl ester
CAS Number:
85317-52-8
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD06410829
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])N
Properties
Properties
 
BP:
360.0±27.0 °C(Predicted)  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
256  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.4  

Literature

Title: (S)-1-Methoxy-carbonyl-3-(4-nitro-phen-yl)propan-2-aminium bromide.

Journal: Acta crystallographica. Section E, Structure reports online 20091001

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SDS
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Tags:85317-52-8 Molecular Formula|85317-52-8 MDL|85317-52-8 SMILES|85317-52-8 4-Nitro-phenylalanine methyl ester