Home Other Building Blocks 2-trifluoromethanesulfinylbenzoic acid

2-trifluoromethanesulfinylbenzoic acid

CAS No.:
79676-57-6
Catalog Number:
AG01C7LK
Molecular Formula:
C8H5F3O3S
Molecular Weight:
238.1837
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Product Description
Catalog Number:
AG01C7LK
Chemical Name:
2-trifluoromethanesulfinylbenzoic acid
CAS Number:
79676-57-6
Molecular Formula:
C8H5F3O3S
Molecular Weight:
238.1837
MDL Number:
MFCD12773906
IUPAC Name:
2-(trifluoromethylsulfinyl)benzoic acid
InChI:
InChI=1S/C8H5F3O3S/c9-8(10,11)15(14)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
InChI Key:
MTEJDYCESKKPRC-UHFFFAOYSA-N
SMILES:
O=S(C(F)(F)F)c1ccccc1C(=O)O
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.18g/mol
Monoisotopic Mass:
237.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties