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845822-99-3 | 3-(3-Fluorophenyl)thiophenol
CAS No: 845822-99-3 Catalog No: AG01EXQD MDL No:
Product Description
Catalog Number:
AG01EXQD
Chemical Name:
3-(3-Fluorophenyl)thiophenol
CAS Number:
845822-99-3
Molecular Formula:
C12H9FS
Molecular Weight:
204.2633
IUPAC Name:
3-(3-fluorophenyl)benzenethiol
InChI:
InChI=1S/C12H9FS/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8,14H
InChI Key:
LTZFHSPKQIITEU-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1cccc(c1)S
Properties
Complexity:
183
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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