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845822-98-2 | 4-(3-Fluorophenyl)thiophenol
CAS No: 845822-98-2 Catalog No: AG01EXQC MDL No:
Product Description
Catalog Number:
AG01EXQC
Chemical Name:
4-(3-Fluorophenyl)thiophenol
CAS Number:
845822-98-2
Molecular Formula:
C12H9FS
Molecular Weight:
204.2633
IUPAC Name:
4-(3-fluorophenyl)benzenethiol
InChI:
InChI=1S/C12H9FS/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8,14H
InChI Key:
OLLFWUIHOCDKAX-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1)c1cccc(c1)F
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.262g/mol
Monoisotopic Mass:
204.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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