Home Carboxes 101495-54-9
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  
$153.00   $108.00
- +
250mg
95%
in stock  
$276.00   $193.00
- +
1g
95%
in stock  
$551.00   $386.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
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
IUPAC Name:
5-chloro-2-methyl-4-nitrobenzonitrile
InChI:
InChI=1S/C8H5ClN2O2/c1-5-2-8(11(12)13)7(9)3-6(5)4-10/h2-3H,1H3
InChI Key:
ICPPDFBNUAGZKN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c(cc1C)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
5-CHLORO-2-METHYL-4-NITROBENZONITRILE 
101495-54-9 
DA-16361 
CS-0087919 
FT-0723228 
5-chloro-2-methyl-4-nitro-benzonitrile 
CID10241799 
Benzonitrile, 5-chloro-2-methyl-4-nitro- 
ACMC-20m4jk 
SCHEMBL2403679 
CTK0G8159 
DTXSID90437169 
ICPPDFBNUAGZKN-UHFFFAOYSA-N 
ZINC38416606 
5-Chloro-4-nitro-2-methylbenzonitrile 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A