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131644-91-2 | Propanoic acid, 2,3-difluoro-, 2,2,3,4,4,4-hexafluorobutyl ester
CAS No: 131644-91-2 Catalog No: AG000ZJB MDL No:
Product Description
Catalog Number:
AG000ZJB
Chemical Name:
Propanoic acid, 2,3-difluoro-, 2,2,3,4,4,4-hexafluorobutyl ester
CAS Number:
131644-91-2
Molecular Formula:
C7H6F8O2
Molecular Weight:
274.1086
IUPAC Name:
2,2,3,4,4,4-hexafluorobutyl 2,3-difluoropropanoate
InChI:
InChI=1S/C7H6F8O2/c8-1-3(9)4(16)17-2-6(11,12)5(10)7(13,14)15/h3,5H,1-2H2
InChI Key:
BOEPZJXXAYYNOL-UHFFFAOYSA-N
SMILES:
FCC(C(=O)OCC(C(C(F)(F)F)F)(F)F)F
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.11g/mol
Monoisotopic Mass:
274.024g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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