Home Carboxys 5-[(trifluoromethyl)sulfanyl]furan-2-carboxylic acid

5-[(trifluoromethyl)sulfanyl]furan-2-carboxylic acid

CAS No.:
1340136-76-6
Catalog Number:
AG01AUBK
Molecular Formula:
C6H3F3O3S
Molecular Weight:
212.1464
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Product Description
Catalog Number:
AG01AUBK
Chemical Name:
5-[(trifluoromethyl)sulfanyl]furan-2-carboxylic acid
CAS Number:
1340136-76-6
Molecular Formula:
C6H3F3O3S
Molecular Weight:
212.1464
MDL Number:
MFCD19613911
IUPAC Name:
5-(trifluoromethylsulfanyl)furan-2-carboxylic acid
InChI:
InChI=1S/C6H3F3O3S/c7-6(8,9)13-4-2-1-3(12-4)5(10)11/h1-2H,(H,10,11)
InChI Key:
UOVMUFPUISRTAW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)SC(F)(F)F
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.975g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.142g/mol
Monoisotopic Mass:
211.975g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties