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Home > Fluorides > 189389-79-5
189389-79-5 | Octadecane, 1-[(2,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluorononyl)oxy]-
CAS No: 189389-79-5 Catalog No: AG002DMQ MDL No:
Product Description
Catalog Number:
AG002DMQ
Chemical Name:
Octadecane, 1-[(2,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluorononyl)oxy]-
CAS Number:
189389-79-5
Molecular Formula:
C27H42F14O
Molecular Weight:
648.5994
IUPAC Name:
1-(2,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluorononoxy)octadecane
InChI:
InChI=1S/C27H42F14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-42-20-21(28)19-22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)41/h21H,2-20H2,1H3
InChI Key:
VQVNAOULEVPKNE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
648.301g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
648.61g/mol
Monoisotopic Mass:
648.301g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
14.1
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