Home Halogens N-{2-[4-(2-chloropropanoyl)phenyl]ethyl}acetamide

N-{2-[4-(2-chloropropanoyl)phenyl]ethyl}acetamide

CAS No.:
105842-89-5
Catalog Number:
AG019OU2
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
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Product Description
Catalog Number:
AG019OU2
Chemical Name:
N-{2-[4-(2-chloropropanoyl)phenyl]ethyl}acetamide
CAS Number:
105842-89-5
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
MDL Number:
MFCD07687076
IUPAC Name:
N-[2-[4-(2-chloropropanoyl)phenyl]ethyl]acetamide
InChI:
InChI=1S/C13H16ClNO2/c1-9(14)13(17)12-5-3-11(4-6-12)7-8-15-10(2)16/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChI Key:
KVZIMDNIVVWTAC-UHFFFAOYSA-N
SMILES:
CC(=O)NCCc1ccc(cc1)C(=O)C(Cl)C
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.726g/mol
Monoisotopic Mass:
253.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties