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Home > Fluorides > 100556-70-5
100556-70-5 | 1-Propanol, 3-(hexadecyloxy)-2-(2,2,2-trifluoroethoxy)-
CAS No: 100556-70-5 Catalog No: AG0002BZ MDL No:
Product Description
Catalog Number:
AG0002BZ
Chemical Name:
1-Propanol, 3-(hexadecyloxy)-2-(2,2,2-trifluoroethoxy)-
CAS Number:
100556-70-5
Molecular Formula:
C21H41F3O3
Molecular Weight:
398.5436
IUPAC Name:
3-hexadecoxy-2-(2,2,2-trifluoroethoxy)propan-1-ol
InChI:
InChI=1S/C21H41F3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-18-20(17-25)27-19-21(22,23)24/h20,25H,2-19H2,1H3
InChI Key:
GOSGFCZSOOIHGY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(OCC(F)(F)F)CO
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.301g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.551g/mol
Monoisotopic Mass:
398.301g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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