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14620-81-6 | 1-Propanol, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-
CAS No: 14620-81-6 Catalog No: AG001DSM MDL No:MFCD00069091
Product Description
Catalog Number:
AG001DSM
Chemical Name:
1-Propanol, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-
CAS Number:
14620-81-6
Molecular Formula:
C12H3F23O4
Molecular Weight:
648.1131
MDL Number:
MFCD00069091
IUPAC Name:
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propan-1-ol
InChI:
InChI=1S/C12H3F23O4/c13-2(1-36,6(18,19)20)37-11(32,33)4(16,8(24,25)26)39-12(34,35)5(17,9(27,28)29)38-10(30,31)3(14,15)7(21,22)23/h36H,1H2
InChI Key:
IVWMVBZXKIOILW-UHFFFAOYSA-N
SMILES:
OCC(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F
Properties
Complexity:
855
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
647.966g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
27
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
648.115g/mol
Monoisotopic Mass:
647.966g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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