Home Sulfos [3-methanesulfonyl-5-(trifluoromethyl)phenyl]methanol

[3-methanesulfonyl-5-(trifluoromethyl)phenyl]methanol

CAS No.:
1003843-94-4
Catalog Number:
AG01B8XI
Molecular Formula:
C9H9F3O3S
Molecular Weight:
254.2262
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Product Description
Catalog Number:
AG01B8XI
Chemical Name:
[3-methanesulfonyl-5-(trifluoromethyl)phenyl]methanol
CAS Number:
1003843-94-4
Molecular Formula:
C9H9F3O3S
Molecular Weight:
254.2262
MDL Number:
MFCD26051392
IUPAC Name:
[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C9H9F3O3S/c1-16(14,15)8-3-6(5-13)2-7(4-8)9(10,11)12/h2-4,13H,5H2,1H3
InChI Key:
HBIQLOSUNLJCEF-UHFFFAOYSA-N
SMILES:
OCc1cc(cc(c1)S(=O)(=O)C)C(F)(F)F
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.022g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.223g/mol
Monoisotopic Mass:
254.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties