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Home > Fluorides > 1314966-77-2
1314966-77-2 | Ethyl 3,4,5-trifluorophenyl sulfide
CAS No: 1314966-77-2 Catalog No: AG01FDVF MDL No:
Product Description
Catalog Number:
AG01FDVF
Chemical Name:
Ethyl 3,4,5-trifluorophenyl sulfide
CAS Number:
1314966-77-2
Molecular Formula:
C8H7F3S
Molecular Weight:
192.2014
IUPAC Name:
5-ethylsulfanyl-1,2,3-trifluorobenzene
InChI:
InChI=1S/C8H7F3S/c1-2-12-5-3-6(9)8(11)7(10)4-5/h3-4H,2H2,1H3
InChI Key:
PPJYDLVBYLDHGA-UHFFFAOYSA-N
SMILES:
CCSc1cc(F)c(c(c1)F)F
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.199g/mol
Monoisotopic Mass:
192.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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