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Home > Fluorides > 845823-09-8
845823-09-8 | 1-(4-ethylsulfanylphenyl)-2,2,2-trifluoroethanone
CAS No: 845823-09-8 Catalog No: AG01EXQH MDL No:MFCD06201804
Product Description
Catalog Number:
AG01EXQH
Chemical Name:
1-(4-ethylsulfanylphenyl)-2,2,2-trifluoroethanone
CAS Number:
845823-09-8
Molecular Formula:
C10H9F3OS
Molecular Weight:
234.2381
MDL Number:
MFCD06201804
IUPAC Name:
1-(4-ethylsulfanylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C10H9F3OS/c1-2-15-8-5-3-7(4-6-8)9(14)10(11,12)13/h3-6H,2H2,1H3
InChI Key:
PZELFQVSBHVSAQ-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1)C(=O)C(F)(F)F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.236g/mol
Monoisotopic Mass:
234.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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