101495-54-9,MFCD23099965
Catalog No.:AA0004J9

101495-54-9 | 5-Chloro-2-methyl-4-nitrobenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$159.00   $111.00
- +
250mg
95%
in stock  
$285.00   $200.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0004J9
Chemical Name:
5-Chloro-2-methyl-4-nitrobenzonitrile
CAS Number:
101495-54-9
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD23099965
SMILES:
N#Cc1cc(Cl)c(cc1C)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
255  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route

[1]ChemicalandPharmaceuticalBulletin,1992,vol.40,p.2399-2409

[1]Patent:US5968958,1999,A

copper(ll)sulfatepentahydrate 
  13852-51-2    101495-54-9 

[1]Patent:US4866091,1989,A

13852-51-2   
copper(l)cyanide 
  101495-54-9 

[1]JournalofMedicinalChemistry,2012,vol.55,p.9416-9433

773837-37-9    13852-51-2   
copper(l)cyanide 
  101495-54-9 

[1]Patent:WO2013/79494,2013,A1.Locationinpatent:Page/Pagecolumn65-66

Literature
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SDS
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Tags:101495-54-9 Molecular Formula|101495-54-9 MDL|101495-54-9 SMILES|101495-54-9 5-Chloro-2-methyl-4-nitrobenzonitrile
Catalog No.: AA0004J9
101495-54-9,MFCD23099965
101495-54-9 | 5-Chloro-2-methyl-4-nitrobenzonitrile
Pack Size: 100mg
Purity: 95%
in stock
$159.00 $111.00
Pack Size: 250mg
Purity: 95%
in stock
$285.00 $200.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0004J9
Chemical Name: 5-Chloro-2-methyl-4-nitrobenzonitrile
CAS Number: 101495-54-9
Molecular Formula: C8H5ClN2O2
Molecular Weight: 196.5905
MDL Number: MFCD23099965
SMILES: N#Cc1cc(Cl)c(cc1C)[N+](=O)[O-]
Properties
Complexity: 255  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
13852-51-2    151-50-8    101495-54-9 

[1]ChemicalandPharmaceuticalBulletin,1992,vol.40,p.2399-2409

13852-51-2    101495-54-9 

[1]Patent:US5968958,1999,A

copper(ll)sulfatepentahydrate 
  13852-51-2    101495-54-9 

[1]Patent:US4866091,1989,A

13852-51-2   
copper(l)cyanide 
  101495-54-9 

[1]JournalofMedicinalChemistry,2012,vol.55,p.9416-9433

773837-37-9    13852-51-2   
copper(l)cyanide 
  101495-54-9 

[1]Patent:WO2013/79494,2013,A1.Locationinpatent:Page/Pagecolumn65-66

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