Home Carboxys 5-iodothiophene-3-carboxylic acid

5-iodothiophene-3-carboxylic acid

CAS No.:
18895-01-7
Catalog Number:
AG01AGN8
Molecular Formula:
C5H3IO2S
Molecular Weight:
254.0456
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Product Description
Catalog Number:
AG01AGN8
Chemical Name:
5-iodothiophene-3-carboxylic acid
CAS Number:
18895-01-7
Molecular Formula:
C5H3IO2S
Molecular Weight:
254.0456
MDL Number:
MFCD14705903
IUPAC Name:
5-iodothiophene-3-carboxylic acid
InChI:
InChI=1S/C5H3IO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
InChI Key:
RBTHAHOQJNQFNN-UHFFFAOYSA-N
SMILES:
Ic1scc(c1)C(=O)O
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.89g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.041g/mol
Monoisotopic Mass:
253.89g/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