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1379369-18-2 | S-3,4,5-Trifluorophenylthioacetate
CAS No: 1379369-18-2 Catalog No: AG01FE6Q MDL No:
Product Description
Catalog Number:
AG01FE6Q
Chemical Name:
S-3,4,5-Trifluorophenylthioacetate
CAS Number:
1379369-18-2
Molecular Formula:
C8H5F3OS
Molecular Weight:
206.1849
IUPAC Name:
S-(3,4,5-trifluorophenyl) ethanethioate
InChI:
InChI=1S/C8H5F3OS/c1-4(12)13-5-2-6(9)8(11)7(10)3-5/h2-3H,1H3
InChI Key:
UJFOPJARSSBLCN-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1cc(F)c(c(c1)F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.182g/mol
Monoisotopic Mass:
206.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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