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85117-85-7 | 2-[(2,2-DIETHOXYETHYL)THIO]-1,1,1-TRIFLUOROETHANE
CAS No: 85117-85-7 Catalog No: AG004OH5 MDL No:
Product Description
Catalog Number:
AG004OH5
Chemical Name:
2-[(2,2-DIETHOXYETHYL)THIO]-1,1,1-TRIFLUOROETHANE
CAS Number:
85117-85-7
Molecular Formula:
C8H15F3O2S
Molecular Weight:
232.2637
IUPAC Name:
2-(2,2-diethoxyethylsulfanyl)-1,1,1-trifluoroethane
InChI:
InChI=1S/C8H15F3O2S/c1-3-12-7(13-4-2)5-14-6-8(9,10)11/h7H,3-6H2,1-2H3
InChI Key:
ZSWGNKLWMBBFOG-UHFFFAOYSA-N
SMILES:
CCOC(CSCC(F)(F)F)OCC
EC Number:
285-635-3
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.261g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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