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1713163-06-4

1713163-06-4 | 3,3,3-Trifluoropropyl 2-ethylphenyl sulfide

CAS No: 1713163-06-4 Catalog No: AG01FB2O MDL No:MFCD25976522

Product Description

Catalog Number:
AG01FB2O
Chemical Name:
3,3,3-Trifluoropropyl 2-ethylphenyl sulfide
CAS Number:
1713163-06-4
Molecular Formula:
C11H13F3S
Molecular Weight:
234.2811
MDL Number:
MFCD25976522
IUPAC Name:
1-ethyl-2-(3,3,3-trifluoropropylsulfanyl)benzene
InChI:
InChI=1S/C11H13F3S/c1-2-9-5-3-4-6-10(9)15-8-7-11(12,13)14/h3-6H,2,7-8H2,1H3
InChI Key:
LFEVIXGJVISDRL-UHFFFAOYSA-N
SMILES:
CCc1ccccc1SCCC(F)(F)F

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.28g/mol
Monoisotopic Mass:
234.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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