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2648-47-7 | Pentanal, 2,2,3,3,4,4,5,5-octafluoro-
CAS No: 2648-47-7 Catalog No: AG002TEN MDL No:MFCD00155897
Product Description
Catalog Number:
AG002TEN
Chemical Name:
Pentanal, 2,2,3,3,4,4,5,5-octafluoro-
CAS Number:
2648-47-7
Molecular Formula:
C5H2F8O
Molecular Weight:
230.0560
MDL Number:
MFCD00155897
IUPAC Name:
2,2,3,3,4,4,5,5-octafluoropentanal
InChI:
InChI=1S/C5H2F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h1-2H
InChI Key:
BQFRALWVZATVGY-UHFFFAOYSA-N
SMILES:
O=CC(C(C(C(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.057g/mol
Monoisotopic Mass:
229.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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