Home Halogens 4-chlorothiophene-3-carboxylic acid

4-chlorothiophene-3-carboxylic acid

CAS No.:
59337-81-4
Catalog Number:
AG019TJ7
Molecular Formula:
C5H3ClO2S
Molecular Weight:
162.5941
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Product Description
Catalog Number:
AG019TJ7
Chemical Name:
4-chlorothiophene-3-carboxylic acid
CAS Number:
59337-81-4
Molecular Formula:
C5H3ClO2S
Molecular Weight:
162.5941
MDL Number:
MFCD08695552
IUPAC Name:
4-chlorothiophene-3-carboxylic acid
InChI:
InChI=1S/C5H3ClO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H,7,8)
InChI Key:
QPYFNTQGFUWDDP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cscc1Cl
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.954g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.587g/mol
Monoisotopic Mass:
161.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties