Home Carboxys 4-(4-fluorophenyl)-5-methylthiophene-2-carboxylic acid

4-(4-fluorophenyl)-5-methylthiophene-2-carboxylic acid

CAS No.:
1267218-61-0
Catalog Number:
AG019U28
Molecular Formula:
C12H9FO2S
Molecular Weight:
236.2621
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Product Description
Catalog Number:
AG019U28
Chemical Name:
4-(4-fluorophenyl)-5-methylthiophene-2-carboxylic acid
CAS Number:
1267218-61-0
Molecular Formula:
C12H9FO2S
Molecular Weight:
236.2621
MDL Number:
MFCD19322661
IUPAC Name:
4-(4-fluorophenyl)-5-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C12H9FO2S/c1-7-10(6-11(16-7)12(14)15)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,15)
InChI Key:
JXNYHJRYTXQDTG-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cc(sc1C)C(=O)O
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.031g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.26g/mol
Monoisotopic Mass:
236.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties