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82437-53-4 | Butanamide,N-(2-chloroacetyl)-3-oxo-
CAS No: 82437-53-4 Catalog No: AG005BPK MDL No:MFCD00172744
Product Description
Catalog Number:
AG005BPK
Chemical Name:
Butanamide,N-(2-chloroacetyl)-3-oxo-
CAS Number:
82437-53-4
Molecular Formula:
C6H8ClNO3
Molecular Weight:
177.5856
MDL Number:
MFCD00172744
IUPAC Name:
N-(2-chloroacetyl)-3-oxobutanamide
InChI:
InChI=1S/C6H8ClNO3/c1-4(9)2-5(10)8-6(11)3-7/h2-3H2,1H3,(H,8,10,11)
InChI Key:
CXMKTWWKRRUSLH-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)NC(=O)CCl
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.584g/mol
Monoisotopic Mass:
177.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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