Home Halogens 4-(2,5-dichlorothiophen-3-yl)-4-oxobutanoic acid

4-(2,5-dichlorothiophen-3-yl)-4-oxobutanoic acid

CAS No.:
19945-43-8
Catalog Number:
AG019YGV
Molecular Formula:
C8H6Cl2O3S
Molecular Weight:
253.1024
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Product Description
Catalog Number:
AG019YGV
Chemical Name:
4-(2,5-dichlorothiophen-3-yl)-4-oxobutanoic acid
CAS Number:
19945-43-8
Molecular Formula:
C8H6Cl2O3S
Molecular Weight:
253.1024
MDL Number:
MFCD15529781
IUPAC Name:
4-(2,5-dichlorothiophen-3-yl)-4-oxobutanoic acid
InChI:
InChI=1S/C8H6Cl2O3S/c9-6-3-4(8(10)14-6)5(11)1-2-7(12)13/h3H,1-2H2,(H,12,13)
InChI Key:
LAGSROSYUIBCDA-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1cc(sc1Cl)Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.941g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.093g/mol
Monoisotopic Mass:
251.941g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties