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79851-29-9 | Propanoic acid,2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-, ethyl ester
CAS No: 79851-29-9 Catalog No: AG005GQJ MDL No:MFCD00407317
Product Description
Catalog Number:
AG005GQJ
Chemical Name:
Propanoic acid,2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-, ethyl ester
CAS Number:
79851-29-9
Molecular Formula:
C8H5F11O3
Molecular Weight:
358.1059
MDL Number:
MFCD00407317
IUPAC Name:
ethyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
InChI:
InChI=1S/C8H5F11O3/c1-2-21-3(20)4(9,6(12,13)14)22-8(18,19)5(10,11)7(15,16)17/h2H2,1H3
InChI Key:
HJLWKGDZOZTKIS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.006g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.107g/mol
Monoisotopic Mass:
358.006g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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