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87241-52-9 | Methanesulfonic acid, trifluoro-, 2,4-dimethylphenyl ester
CAS No: 87241-52-9 Catalog No: AG004JBZ MDL No:
Product Description
Catalog Number:
AG004JBZ
Chemical Name:
Methanesulfonic acid, trifluoro-, 2,4-dimethylphenyl ester
CAS Number:
87241-52-9
Molecular Formula:
C9H9F3O3S
Molecular Weight:
254.2262
IUPAC Name:
(2,4-dimethylphenyl) trifluoromethanesulfonate
InChI:
InChI=1S/C9H9F3O3S/c1-6-3-4-8(7(2)5-6)15-16(13,14)9(10,11)12/h3-5H,1-2H3
InChI Key:
RGBQZJSCYJWVMU-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)OS(=O)(=O)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:
0
Isotope Atom Count:
0
Molecular Weight:
254.223g/mol
Monoisotopic Mass:
254.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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