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Home Amines 57113-90-3
57113-90-3,MFCD06797690
Catalog No.:AA00E8Z4

57113-90-3 | Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$29.00   $21.00
- +
5g
98%
in stock  
$77.00   $54.00
- +
25g
98%
in stock  
$288.00   $202.00
- +
100g
98%
in stock  
$914.00   $640.00
- +
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Technical Information
Catalog Number:
AA00E8Z4
Chemical Name:
Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-methyl ester
CAS Number:
57113-90-3
Molecular Formula:
C13H16N2O6
Molecular Weight:
296.2759
MDL Number:
MFCD06797690
SMILES:
COC(=O)c1cccc(c1NC(=O)OC(C)(C)C)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
412  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
2.7  

Literature
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Additional Info:
SDS
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Tags:57113-90-3 Molecular Formula|57113-90-3 MDL|57113-90-3 SMILES|57113-90-3 Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-methyl ester |Organic_Building_Blocks