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1479-52-3 | Methanol, 1,1,1-trifluoro-, 1,1'-sulfate
CAS No: 1479-52-3 Catalog No: AG001F9K MDL No:
Product Description
Catalog Number:
AG001F9K
Chemical Name:
Methanol, 1,1,1-trifluoro-, 1,1'-sulfate
CAS Number:
1479-52-3
Molecular Formula:
C2H4F6O6S
Molecular Weight:
270.1050
IUPAC Name:
sulfuric acid;trifluoromethanol
InChI:
InChI=1S/2CHF3O.H2O4S/c2*2-1(3,4)5;1-5(2,3)4/h2*5H;(H2,1,2,3,4)
InChI Key:
UMKYQEOAGXVFEY-UHFFFAOYSA-N
SMILES:
OC(F)(F)F.OC(F)(F)F.OS(=O)(=O)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.963g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
270.098g/mol
Monoisotopic Mass:
269.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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