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1443306-13-5 | 3-(3-Chloro-5-fluorophenyl)thiophenol
CAS No: 1443306-13-5 Catalog No: AG01FD4F MDL No:
Product Description
Catalog Number:
AG01FD4F
Chemical Name:
3-(3-Chloro-5-fluorophenyl)thiophenol
CAS Number:
1443306-13-5
Molecular Formula:
C12H8ClFS
Molecular Weight:
238.7083
IUPAC Name:
3-(3-chloro-5-fluorophenyl)benzenethiol
InChI:
InChI=1S/C12H8ClFS/c13-10-4-9(5-11(14)7-10)8-2-1-3-12(15)6-8/h1-7,15H
InChI Key:
PYTRTFRAWAIYAT-UHFFFAOYSA-N
SMILES:
Sc1cccc(c1)c1cc(F)cc(c1)Cl
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.704g/mol
Monoisotopic Mass:
238.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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