Home Halogens 4-(5-chlorothiophen-2-yl)butan-2-one

4-(5-chlorothiophen-2-yl)butan-2-one

CAS No.:
1099653-15-2
Catalog Number:
AG01A0W5
Molecular Formula:
C8H9ClOS
Molecular Weight:
188.6745
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Product Description
Catalog Number:
AG01A0W5
Chemical Name:
4-(5-chlorothiophen-2-yl)butan-2-one
CAS Number:
1099653-15-2
Molecular Formula:
C8H9ClOS
Molecular Weight:
188.6745
MDL Number:
MFCD11655145
IUPAC Name:
4-(5-chlorothiophen-2-yl)butan-2-one
InChI:
InChI=1S/C8H9ClOS/c1-6(10)2-3-7-4-5-8(9)11-7/h4-5H,2-3H2,1H3
InChI Key:
JIIAJJTWXULCBX-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1ccc(s1)Cl
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.006g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.669g/mol
Monoisotopic Mass:
188.006g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties