Home Sulfos 5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-Methylethyl)oxy]benzoic acid

5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-Methylethyl)oxy]benzoic acid

CAS No.:
845616-83-3
Catalog Number:
AG00G3N3
Molecular Formula:
C11H11F3O5S
Molecular Weight:
312.2622
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Product Description
Catalog Number:
AG00G3N3
Chemical Name:
5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-Methylethyl)oxy]benzoic acid
CAS Number:
845616-83-3
Molecular Formula:
C11H11F3O5S
Molecular Weight:
312.2622
MDL Number:
MFCD25541590
IUPAC Name:
5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid
InChI:
InChI=1S/C11H11F3O5S/c1-6(11(12,13)14)19-9-4-3-7(20(2,17)18)5-8(9)10(15)16/h3-6H,1-2H3,(H,15,16)/t6-/m1/s1
InChI Key:
KAFINIUNMPCGFL-ZCFIWIBFSA-N
SMILES:
C[C@H](C(F)(F)F)Oc1ccc(cc1C(=O)O)S(=O)(=O)C
Properties
Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
312.028g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
312.259g/mol
Monoisotopic Mass:
312.028g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties