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101513-60-4,MFCD00962813
Catalog No.:AA0004MG
101513-60-4 | 2-Chloro-n-methyl-5-nitroaniline
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Purity
Availability
Price(USD)
Quantity
  
1g
97%
1 week  
$431.00   $302.00
- +
5g
97%
1 week  
$1,208.00   $845.00
- +
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Technical Information
Catalog Number:
AA0004MG
Chemical Name:
2-Chloro-n-methyl-5-nitroaniline
CAS Number:
101513-60-4
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
MDL Number:
MFCD00962813
IUPAC Name:
2-chloro-N-methyl-5-nitroaniline
InChI:
InChI=1S/C7H7ClN2O2/c1-9-7-4-5(10(11)12)2-3-6(7)8/h2-4,9H,1H3
InChI Key:
COAVDUBTKDZPLC-UHFFFAOYSA-N
SMILES:
CNc1cc(ccc1Cl)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.595g/mol
Monoisotopic Mass:
186.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
2-chloro-N-methyl-5-nitroaniline 
101513-60-4 
N-Methyl-2-chloro-5-nitroaniline 
ZINC5353753 
STL367695 
2-chloro-N-methyl-5-nitrobenzenamine 
AKOS000447129 
MCULE-7537712761 
SC-54012 
J-509149 
2-chloro-N-methyl-5-nitro-aniline 
CID3720923 
Benzenamine, 2-chloro-N-methyl-5-nitro- 
(2-chloro-5-nitro-phenyl)-methyl-amine 
AC1MWAAF 
ACMC-20m4k8 
SCHEMBL4361693 
CTK0G8148 
DTXSID20395506 
COAVDUBTKDZPLC-UHFFFAOYSA-N 
Literature
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