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116235-82-6 | Acetamide, N-[2-[(2-chloro-3-oxobutyl)thio]ethyl]-
CAS No: 116235-82-6 Catalog No: AG000BZR MDL No:
Product Description
Catalog Number:
AG000BZR
Chemical Name:
Acetamide, N-[2-[(2-chloro-3-oxobutyl)thio]ethyl]-
CAS Number:
116235-82-6
Molecular Formula:
C8H14ClNO2S
Molecular Weight:
223.7203
IUPAC Name:
N-[2-(2-chloro-3-oxobutyl)sulfanylethyl]acetamide
InChI:
InChI=1S/C8H14ClNO2S/c1-6(11)8(9)5-13-4-3-10-7(2)12/h8H,3-5H2,1-2H3,(H,10,12)
InChI Key:
QPRSRJWMFDSOCD-UHFFFAOYSA-N
SMILES:
CC(=O)NCCSCC(C(=O)C)Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.715g/mol
Monoisotopic Mass:
223.043g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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