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78971-79-6 | Ethanol, 1-[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-, acetate
CAS No: 78971-79-6 Catalog No: AG005CTV MDL No:
Product Description
Catalog Number:
AG005CTV
Chemical Name:
Ethanol, 1-[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-, acetate
CAS Number:
78971-79-6
Molecular Formula:
C11H12F12O4
Molecular Weight:
436.1914
IUPAC Name:
acetic acid;1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)ethanol
InChI:
InChI=1S/C9H8F12O2.C2H4O2/c1-3(22)23-2-5(12,13)7(16,17)9(20,21)8(18,19)6(14,15)4(10)11;1-2(3)4/h3-4,22H,2H2,1H3;1H3,(H,3,4)
InChI Key:
RAKGZAFHAXNLTC-UHFFFAOYSA-N
SMILES:
CC(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.CC(=O)O
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.054g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.194g/mol
Monoisotopic Mass:
436.054g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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