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2968-14-1 | 1-Allylsulfanyl-4-fluorobenzene
CAS No: 2968-14-1 Catalog No: AG01EUPG MDL No:
Product Description
Catalog Number:
AG01EUPG
Chemical Name:
1-Allylsulfanyl-4-fluorobenzene
CAS Number:
2968-14-1
Molecular Formula:
C9H9FS
Molecular Weight:
168.2312
IUPAC Name:
1-fluoro-4-prop-2-enylsulfanylbenzene
InChI:
InChI=1S/C9H9FS/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6H,1,7H2
InChI Key:
ZGYDZTJUDJCWJM-UHFFFAOYSA-N
SMILES:
C=CCSc1ccc(cc1)F
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.229g/mol
Monoisotopic Mass:
168.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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