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100141-43-3,MFCD03385087
Catalog No.:AA000101
100141-43-3 | Propanamide, 3-chloro-N-(2,4,6-trimethylphenyl)-
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1g
95%
in stock  
$216.00
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5g
95%
in stock  
$672.00
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000101
Chemical Name:
Propanamide, 3-chloro-N-(2,4,6-trimethylphenyl)-
CAS Number:
100141-43-3
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
MDL Number:
MFCD03385087
IUPAC Name:
3-chloro-N-(2,4,6-trimethylphenyl)propanamide
InChI:
InChI=1S/C12H16ClNO/c1-8-6-9(2)12(10(3)7-8)14-11(15)4-5-13/h6-7H,4-5H2,1-3H3,(H,14,15)
InChI Key:
QQSDUFSTDSMUBD-UHFFFAOYSA-N
SMILES:
ClCCC(=O)Nc1c(C)cc(cc1C)C
Properties
Computed Properties
 
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.092g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.716g/mol
Monoisotopic Mass:
225.092g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
3-chloro-N-mesitylpropanamide 
100141-43-3 
ALBB-003598 
ZINC6255224 
7106AC 
BBL017797 
MFCD03385087 
STK482569 
AKOS000156178 
MCULE-8903875899 
ST45173392 
Y-0323 
3-chloro-N-(2,4,6-trimethylphenyl)propanamide 
C12H16ClNO 
CID5068656 
Propanamide, 3-chloro-N-(2,4,6-trimethylphenyl)- 
AC1NNGDO 
ACMC-20m38e 
SCHEMBL11176902 
CTK0G9032 
DTXSID60408003 
N-(3'-chloropropionyl)mesitylamine 
Literature
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