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78984-83-5 | Butanamide, N-[(4-chlorophenyl)methyl]-3-oxo-
CAS No: 78984-83-5 Catalog No: AG005CTK MDL No:MFCD01001281
Product Description
Catalog Number:
AG005CTK
Chemical Name:
Butanamide, N-[(4-chlorophenyl)methyl]-3-oxo-
CAS Number:
78984-83-5
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
MDL Number:
MFCD01001281
IUPAC Name:
N-[(4-chlorophenyl)methyl]-3-oxobutanamide
InChI:
InChI=1S/C11H12ClNO2/c1-8(14)6-11(15)13-7-9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3,(H,13,15)
InChI Key:
LWNOHVIQOGIHFD-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)C)NCc1ccc(cc1)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.672g/mol
Monoisotopic Mass:
225.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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