Home Carboxys 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxylic acid

5-(2,2,2-trifluoroacetyl)thiophene-2-carboxylic acid

CAS No.:
929028-43-3
Catalog Number:
AG00H2KC
Molecular Formula:
C7H3F3O3S
Molecular Weight:
224.1571
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Product Description
Catalog Number:
AG00H2KC
Chemical Name:
5-(2,2,2-trifluoroacetyl)thiophene-2-carboxylic acid
CAS Number:
929028-43-3
Molecular Formula:
C7H3F3O3S
Molecular Weight:
224.1571
MDL Number:
MFCD09904829
IUPAC Name:
5-(2,2,2-trifluoroacetyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C7H3F3O3S/c8-7(9,10)5(11)3-1-2-4(14-3)6(12)13/h1-2H,(H,12,13)
InChI Key:
CMNFOQDCQDBAGO-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1ccc(s1)C(=O)O
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.975g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.153g/mol
Monoisotopic Mass:
223.975g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties