Home Halogens 3,4-dichlorothiophene-2-carboxylic acid

3,4-dichlorothiophene-2-carboxylic acid

CAS No.:
61209-02-7
Catalog Number:
AG01DWJ6
Molecular Formula:
C5H2Cl2O2S
Molecular Weight:
197.0392
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Product Description
Catalog Number:
AG01DWJ6
Chemical Name:
3,4-dichlorothiophene-2-carboxylic acid
CAS Number:
61209-02-7
Molecular Formula:
C5H2Cl2O2S
Molecular Weight:
197.0392
MDL Number:
MFCD00159568
IUPAC Name:
3,4-dichlorothiophene-2-carboxylic acid
InChI:
InChI=1S/C5H2Cl2O2S/c6-2-1-10-4(3(2)7)5(8)9/h1H,(H,8,9)
InChI Key:
SHYXCAMRUUVZKJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1scc(c1Cl)Cl
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.915g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.029g/mol
Monoisotopic Mass:
195.915g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties