Home Carboxys 3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid

3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid

CAS No.:
1306605-42-4
Catalog Number:
AG01AIAO
Molecular Formula:
C7H6F2O3S
Molecular Weight:
208.1825
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Product Description
Catalog Number:
AG01AIAO
Chemical Name:
3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid
CAS Number:
1306605-42-4
Molecular Formula:
C7H6F2O3S
Molecular Weight:
208.1825
MDL Number:
MFCD18838971
IUPAC Name:
3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C7H6F2O3S/c1-3-2-4(12-7(8)9)5(13-3)6(10)11/h2,7H,1H3,(H,10,11)
InChI Key:
WKQQJRYYMBSRSM-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(sc1C(=O)O)C)F
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.001g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.179g/mol
Monoisotopic Mass:
208.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties