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Home > Fluorides > 1021166-08-4
1021166-08-4 | Methanesulfonic acid, 1,1,1-trifluoro-, 4-formyl-3,5-dimethylphenyl ester
CAS No: 1021166-08-4 Catalog No: AG0006NH MDL No:
Product Description
Catalog Number:
AG0006NH
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4-formyl-3,5-dimethylphenyl ester
CAS Number:
1021166-08-4
Molecular Formula:
C10H9F3O4S
Molecular Weight:
282.2363
IUPAC Name:
(4-formyl-3,5-dimethylphenyl) trifluoromethanesulfonate
InChI:
InChI=1S/C10H9F3O4S/c1-6-3-8(4-7(2)9(6)5-14)17-18(15,16)10(11,12)13/h3-5H,1-2H3
InChI Key:
JDOFFCNLLQMRML-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(cc1C)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.233g/mol
Monoisotopic Mass:
282.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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