Home Other Building Blocks 1-{2-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-one

1-{2-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-one

CAS No.:
240408-91-7
Catalog Number:
AG01B5B4
Molecular Formula:
C9H7F3OS
Molecular Weight:
220.2115
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Product Description
Catalog Number:
AG01B5B4
Chemical Name:
1-{2-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-one
CAS Number:
240408-91-7
Molecular Formula:
C9H7F3OS
Molecular Weight:
220.2115
MDL Number:
MFCD00236330
IUPAC Name:
1-[2-(trifluoromethylsulfanyl)phenyl]ethanone
InChI:
InChI=1S/C9H7F3OS/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1H3
InChI Key:
VDRFSEAVACCURF-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccccc1SC(F)(F)F
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.017g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.209g/mol
Monoisotopic Mass:
220.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties