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1513-87-7 | Ethanol, 2,2,2-trifluoro-, carbonate (2:1)
CAS No: 1513-87-7 Catalog No: AG001N9H MDL No:MFCD11857845
Product Description
Catalog Number:
AG001N9H
Chemical Name:
Ethanol, 2,2,2-trifluoro-, carbonate (2:1)
CAS Number:
1513-87-7
Molecular Formula:
C5H8F6O5
Molecular Weight:
262.1044
MDL Number:
MFCD11857845
IUPAC Name:
bis(2,2,2-trifluoroethyl) carbonate
InChI:
InChI=1S/C5H4F6O3/c6-4(7,8)1-13-3(12)14-2-5(9,10)11/h1-2H2
InChI Key:
WLLOZRDOFANZMZ-UHFFFAOYSA-N
SMILES:
OC(=O)O.OCC(F)(F)F.OCC(F)(F)F
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.074g/mol
Monoisotopic Mass:
226.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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