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20139-54-2 | Butanamide, N-(3-chloro-2-methylphenyl)-3-oxo-
CAS No: 20139-54-2 Catalog No: AG002DD6 MDL No:MFCD00135508
Product Description
Catalog Number:
AG002DD6
Chemical Name:
Butanamide, N-(3-chloro-2-methylphenyl)-3-oxo-
CAS Number:
20139-54-2
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
MDL Number:
MFCD00135508
IUPAC Name:
N-(3-chloro-2-methylphenyl)-3-oxobutanamide
InChI:
InChI=1S/C11H12ClNO2/c1-7(14)6-11(15)13-10-5-3-4-9(12)8(10)2/h3-5H,6H2,1-2H3,(H,13,15)
InChI Key:
NBLAONBKZUTBFR-UHFFFAOYSA-N
SMILES:
Cc1c(NC(=O)CC(=O)C)cccc1Cl
NSC Number:
165873
Properties
Complexity:
255
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:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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