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177722-97-3

177722-97-3 | 1-Dodecanol, 7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodo-

CAS No: 177722-97-3 Catalog No: AG0025HB MDL No:

Product Description

Catalog Number:
AG0025HB
Chemical Name:
1-Dodecanol, 7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodo-
CAS Number:
177722-97-3
Molecular Formula:
C12H12F13IO
Molecular Weight:
546.1068
IUPAC Name:
7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-5-iodododecan-1-ol
InChI:
InChI=1S/C12H12F13IO/c13-7(14,5-6(26)3-1-2-4-27)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h6,27H,1-5H2
InChI Key:
MNBTZWGXQAMLCE-UHFFFAOYSA-N
SMILES:
OCCCCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I

Properties

Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
545.973g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
546.111g/mol
Monoisotopic Mass:
545.973g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  

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