Home Carboxys 3-(difluoromethyl)thiophene-2-carboxylic acid

3-(difluoromethyl)thiophene-2-carboxylic acid

CAS No.:
189330-25-4
Catalog Number:
AG01C0LI
Molecular Formula:
C6H4F2O2S
Molecular Weight:
178.1566
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Product Description
Catalog Number:
AG01C0LI
Chemical Name:
3-(difluoromethyl)thiophene-2-carboxylic acid
CAS Number:
189330-25-4
Molecular Formula:
C6H4F2O2S
Molecular Weight:
178.1566
MDL Number:
MFCD20659264
IUPAC Name:
3-(difluoromethyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C6H4F2O2S/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2,5H,(H,9,10)
InChI Key:
DAQBXAMVSOIJCO-UHFFFAOYSA-N
SMILES:
FC(c1ccsc1C(=O)O)F
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.99g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.153g/mol
Monoisotopic Mass:
177.99g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties