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3108-24-5 | Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester
CAS No: 3108-24-5 Catalog No: AG00321Y MDL No:MFCD00018063
Product Description
Catalog Number:
AG00321Y
Chemical Name:
Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester
CAS Number:
3108-24-5
Molecular Formula:
C10H5F15O2
Molecular Weight:
442.1215
MDL Number:
MFCD00018063
IUPAC Name:
ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
InChI:
InChI=1S/C10H5F15O2/c1-2-27-3(26)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H2,1H3
InChI Key:
JTOFFHFAQBLPTM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
EC Number:
221-468-4
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.005g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.124g/mol
Monoisotopic Mass:
442.005g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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