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Home > Fluorides > 1352216-59-1
1352216-59-1 | 4'-Methylthio-2,2,3,3,3-pentafluoropropiophenone
CAS No: 1352216-59-1 Catalog No: AG01F9IF MDL No:
Product Description
Catalog Number:
AG01F9IF
Chemical Name:
4'-Methylthio-2,2,3,3,3-pentafluoropropiophenone
CAS Number:
1352216-59-1
Molecular Formula:
C10H7F5OS
Molecular Weight:
270.2190
IUPAC Name:
2,2,3,3,3-pentafluoro-1-(4-methylsulfanylphenyl)propan-1-one
InChI:
InChI=1S/C10H7F5OS/c1-17-7-4-2-6(3-5-7)8(16)9(11,12)10(13,14)15/h2-5H,1H3
InChI Key:
WVSVDVNBQXIBNQ-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(=O)C(C(F)(F)F)(F)F
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.014g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.217g/mol
Monoisotopic Mass:
270.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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