1-(5-chlorothiophen-2-yl)butan-1-one


Chemical Name: 1-(5-chlorothiophen-2-yl)butan-1-one
CAS Number: 32427-77-3
Product Number: AG007G5K(AGN-PC-0JWPGL)
Synonyms:
MDL No:
Molecular Formula: C8H9ClOS
Molecular Weight: 188.6745

Identification/Properties


Computed Properties
Molecular Weight:
188.669g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
188.006g/mol
Monoisotopic Mass:
188.006g/mol
Topological Polar Surface Area:
45.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
149
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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