Home Carboxys Methyl 5-iodothiophene-2-carboxylate

Methyl 5-iodothiophene-2-carboxylate

CAS No.:
88105-22-0
Catalog Number:
AG004J15
Molecular Formula:
C6H5IO2S
Molecular Weight:
268.0722
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Product Description
Catalog Number:
AG004J15
Chemical Name:
Methyl 5-iodothiophene-2-carboxylate
CAS Number:
88105-22-0
Molecular Formula:
C6H5IO2S
Molecular Weight:
268.0722
MDL Number:
MFCD18072497
IUPAC Name:
methyl 5-iodothiophene-2-carboxylate
InChI:
InChI=1S/C6H5IO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3
InChI Key:
BRDYIIWMXMXTOD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(s1)I
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.905g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.068g/mol
Monoisotopic Mass:
267.905g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Ethynyl pi-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties. Organic & biomolecular chemistry 20041121
Properties