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87603-53-0,MFCD09950865
Catalog No.:AA019KML
87603-53-0 | N-(butan-2-yl)-2-chloropropanamide
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Technical Information
Catalog Number:
AA019KML
Chemical Name:
N-(butan-2-yl)-2-chloropropanamide
CAS Number:
87603-53-0
Molecular Formula:
C7H14ClNO
Molecular Weight:
163.6452
MDL Number:
MFCD09950865
IUPAC Name:
N-butan-2-yl-2-chloropropanamide
InChI:
InChI=1S/C7H14ClNO/c1-4-5(2)9-7(10)6(3)8/h5-6H,4H2,1-3H3,(H,9,10)
InChI Key:
RECKOKCQSMADRC-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)C(Cl)C)C
Properties
Computed Properties
 
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.076g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.645g/mol
Monoisotopic Mass:
163.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
N-(butan-2-yl)-2-chloropropanamide 
87603-53-0 
AC1Q2SA8 
SCHEMBL11071385 
CTK6C9152 
AKOS000196691 
AKOS022340930 
NE21157 
EN300-27878 
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