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Home Nitro Compounds 6083-79-0
6083-79-0,MFCD01318041
Catalog No.:AA00IAOK

6083-79-0 | 4-(Cyanosulfanyl)-3-nitrobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$34.00   $24.00
- +
250mg
97%
in stock  
$42.00   $29.00
- +
1g
97%
in stock  
$124.00   $87.00
- +
5g
97%
in stock  
$495.00   $347.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IAOK
Chemical Name:
4-(Cyanosulfanyl)-3-nitrobenzoic acid
CAS Number:
6083-79-0
Molecular Formula:
C8H4N2O4S
Molecular Weight:
224.1934
MDL Number:
MFCD01318041
SMILES:
N#CSc1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Computed Properties
 
Complexity:
318  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Martani,A.etal.[BollettinoChimicoFarmaceutico,1962,vol.101,p.829-840]

[1]Martani,A.etal.[BollettinoChimicoFarmaceutico,1962,vol.101,p.829-840]

[1]CurrentPatentAssignee:ELILILLY&CO-WO2004/67529,2004,A1Locationinpatent:Page167-168

[1]Patent:WO2004/67529,2004,A1.Locationinpatent:Page167

Literature
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Additional Info:
SDS
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Tags:6083-79-0 Molecular Formula|6083-79-0 MDL|6083-79-0 SMILES|6083-79-0 4-(Cyanosulfanyl)-3-nitrobenzoic acid