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80841-09-4 | Methanesulfonic acid, trifluoro-, 3-(1-methylethyl)phenyl ester
CAS No: 80841-09-4 Catalog No: AG005IOR MDL No:
Product Description
Catalog Number:
AG005IOR
Chemical Name:
Methanesulfonic acid, trifluoro-, 3-(1-methylethyl)phenyl ester
CAS Number:
80841-09-4
Molecular Formula:
C10H11F3O3S
Molecular Weight:
268.2527
IUPAC Name:
(3-propan-2-ylphenyl) trifluoromethanesulfonate
InChI:
InChI=1S/C10H11F3O3S/c1-7(2)8-4-3-5-9(6-8)16-17(14,15)10(11,12)13/h3-7H,1-2H3
InChI Key:
MDZUBIFFXUJCKF-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)OS(=O)(=O)C(F)(F)F)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.038g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.25g/mol
Monoisotopic Mass:
268.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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