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1443341-45-4 | Ethyl 3-(4-fluorophenyl)phenyl sulfide
CAS No: 1443341-45-4 Catalog No: AG01FCRJ MDL No:
Product Description
Catalog Number:
AG01FCRJ
Chemical Name:
Ethyl 3-(4-fluorophenyl)phenyl sulfide
CAS Number:
1443341-45-4
Molecular Formula:
C14H13FS
Molecular Weight:
232.3164
IUPAC Name:
1-ethylsulfanyl-3-(4-fluorophenyl)benzene
InChI:
InChI=1S/C14H13FS/c1-2-16-14-5-3-4-12(10-14)11-6-8-13(15)9-7-11/h3-10H,2H2,1H3
InChI Key:
KCKABPQERDIGCR-UHFFFAOYSA-N
SMILES:
CCSc1cccc(c1)c1ccc(cc1)F
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.316g/mol
Monoisotopic Mass:
232.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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