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88552-05-0 | 4-Hepten-3-one, 1,1,2,2-tetrafluoro-5-mercapto-
CAS No: 88552-05-0 Catalog No: AG004F4D MDL No:
Product Description
Catalog Number:
AG004F4D
Chemical Name:
4-Hepten-3-one, 1,1,2,2-tetrafluoro-5-mercapto-
CAS Number:
88552-05-0
Molecular Formula:
C7H8F4OS
Molecular Weight:
216.1964
IUPAC Name:
1,1,2,2-tetrafluoro-5-sulfanylhept-4-en-3-one
InChI:
InChI=1S/C7H8F4OS/c1-2-4(13)3-5(12)7(10,11)6(8)9/h3,6,13H,2H2,1H3
InChI Key:
CECUBSXYFQYELM-UHFFFAOYSA-N
SMILES:
CCC(=CC(=O)C(C(F)F)(F)F)S
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.194g/mol
Monoisotopic Mass:
216.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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