Home Nitro Compounds 13287-49-5
13287-49-5,MFCD00024784
Catalog No.:AA00118U

13287-49-5 | Thiocyanic acid, (4-nitrophenyl)methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
1 week  
$40.00   $28.00
- +
250mg
97%
1 week  
$66.00   $46.00
- +
1g
97%
1 week  
$171.00   $120.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00118U
Chemical Name:
Thiocyanic acid, (4-nitrophenyl)methyl ester
CAS Number:
13287-49-5
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD00024784
SMILES:
N#CSCc1ccc(cc1)[N+](=O)[O-]
NSC Number:
56364
Properties
Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
2.6  

Literature

Title: Regioselective bond cleavage in the dissociative electron transfer to benzyl thiocyanates.

Journal: Journal of the American Chemical Society 20031022

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Tags:13287-49-5 Molecular Formula|13287-49-5 MDL|13287-49-5 SMILES|13287-49-5 Thiocyanic acid, (4-nitrophenyl)methyl ester