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730950-03-5,MFCD04621514
Catalog No.:AA00FC0O
730950-03-5 | 2-CHLORO-N-(1-CYANO-1,2-DIMETHYL-PROPYL)-ACETAMIDE
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$138.00
- +
250mg
95.0%
3 weeks  
$184.00
- +
500mg
95.0%
3 weeks  
$310.00
- +
1g
95.0%
3 weeks  
$456.00
- +
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Technical Information
Catalog Number:
AA00FC0O
Chemical Name:
2-CHLORO-N-(1-CYANO-1,2-DIMETHYL-PROPYL)-ACETAMIDE
CAS Number:
730950-03-5
Molecular Formula:
C8H13ClN2O
Molecular Weight:
188.6546
MDL Number:
MFCD04621514
IUPAC Name:
2-chloro-N-(2-cyano-3-methylbutan-2-yl)acetamide
InChI:
InChI=1S/C8H13ClN2O/c1-6(2)8(3,5-10)11-7(12)4-9/h6H,4H2,1-3H3,(H,11,12)
InChI Key:
VHALIRAGKZTXCA-UHFFFAOYSA-N
SMILES:
ClCC(=O)NC(C(C)C)(C#N)C
Properties
Computed Properties
 
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.655g/mol
Monoisotopic Mass:
188.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
2-Chloro-N-(1-cyano-1,2-dimethyl-propyl)-acetamide 
2-chloro-N-(1-cyano-1,2-dimethylpropyl)acetamide 
NE29322 
ST50329663 
EN300-06630 
2-chloro-N-(2-cyano-3-methylbutan-2-yl)acetamide 
J-509041 
ZINC03278094 
CID3796864 
730950-03-5 
AC1MXVRM 
AC1Q1O1K 
CTK6H5227 
SBB016599 
AKOS000272512 
AKOS016040544 
MCULE-1306555993 
Literature
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