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Home > Fluorides > 144461-79-0
144461-79-0 | 1,3-Dithiane, 2-(3-fluorophenyl)-
CAS No: 144461-79-0 Catalog No: AG001JLJ MDL No:
Product Description
Catalog Number:
AG001JLJ
Chemical Name:
1,3-Dithiane, 2-(3-fluorophenyl)-
CAS Number:
144461-79-0
Molecular Formula:
C10H11FS2
Molecular Weight:
214.3227
IUPAC Name:
2-(3-fluorophenyl)-1,3-dithiane
InChI:
InChI=1S/C10H11FS2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6H2
InChI Key:
FFQFYDRRUQYEKL-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C1SCCCS1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.316g/mol
Monoisotopic Mass:
214.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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