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

2-(2,5-dichlorothiophen-3-yl)-2-oxoacetic acid

CAS No.:
58414-55-4
Catalog Number:
AG01AD8T
Molecular Formula:
C6H2Cl2O3S
Molecular Weight:
225.0493
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Product Description
Catalog Number:
AG01AD8T
Chemical Name:
2-(2,5-dichlorothiophen-3-yl)-2-oxoacetic acid
CAS Number:
58414-55-4
Molecular Formula:
C6H2Cl2O3S
Molecular Weight:
225.0493
MDL Number:
MFCD11642207
IUPAC Name:
2-(2,5-dichlorothiophen-3-yl)-2-oxoacetic acid
InChI:
InChI=1S/C6H2Cl2O3S/c7-3-1-2(5(8)12-3)4(9)6(10)11/h1H,(H,10,11)
InChI Key:
NYEQOASPWDUDFX-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)c1cc(sc1Cl)Cl
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.91g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.039g/mol
Monoisotopic Mass:
223.91g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties