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1016674-12-6,MFCD09928490
Catalog No.:AA000520
1016674-12-6 | 4-Chloro-n-(4-cyanophenyl)butanamide
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Purity
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Price(USD)
Quantity
  
1g
95%
in stock  
$74.00   $52.00
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5g
95%
in stock  
$212.00   $148.00
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Technical Information
Catalog Number:
AA000520
Chemical Name:
4-Chloro-n-(4-cyanophenyl)butanamide
CAS Number:
1016674-12-6
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
MDL Number:
MFCD09928490
IUPAC Name:
4-chloro-N-(4-cyanophenyl)butanamide
InChI:
InChI=1S/C11H11ClN2O/c12-7-1-2-11(15)14-10-5-3-9(8-13)4-6-10/h3-6H,1-2,7H2,(H,14,15)
InChI Key:
RCFZGBXDYJPYFR-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)Nc1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.672g/mol
Monoisotopic Mass:
222.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
4-chloro-N-(4-cyanophenyl)butanamide 
1016674-12-6 
7413AC 
BBL003757 
MFCD09928490 
STK501924 
ZINC19092675 
AKOS000168806 
BBV-060794 
FCH5297526 
MCULE-6798639860 
AJ-71876 
butanamide, 4-chloro-N-(4-cyanophenyl)- 
AB0154971 
FT-0679568 
Y-5986 
I14-28854 
Z425389782 
C11H11ClN2O 
EN300-27530 
AC1Q3UKD 
CTK4A0070 
DTXSID70640735 
ALBB-009492 
ZX-AN008354 
ZX-CM006275 
Literature
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