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189876-54-8 | Ethanol, 2-[4-(trifluoromethoxy)phenoxy]-, 1-methanesulfonate
CAS No: 189876-54-8 Catalog No: AG002E2M MDL No:
Product Description
Catalog Number:
AG002E2M
Chemical Name:
Ethanol, 2-[4-(trifluoromethoxy)phenoxy]-, 1-methanesulfonate
CAS Number:
189876-54-8
Molecular Formula:
C10H11F3O5S
Molecular Weight:
300.2515
IUPAC Name:
methanesulfonic acid;2-[4-(trifluoromethoxy)phenoxy]ethanol
InChI:
InChI=1S/C9H9F3O3.CH4O3S/c10-9(11,12)15-8-3-1-7(2-4-8)14-6-5-13;1-5(2,3)4/h1-4,13H,5-6H2;1H3,(H,2,3,4)
InChI Key:
SCFUUVSUBGIYQO-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)OCCOS(=O)(=O)C)(F)F
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.038g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.263g/mol
Monoisotopic Mass:
318.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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