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Home > Fluorides > 477983-32-7
477983-32-7 | 1-Allylsulfanyl-3-fluorobenzene
CAS No: 477983-32-7 Catalog No: AG01EW44 MDL No:
Product Description
Catalog Number:
AG01EW44
Chemical Name:
1-Allylsulfanyl-3-fluorobenzene
CAS Number:
477983-32-7
Molecular Formula:
C9H9FS
Molecular Weight:
168.2312
IUPAC Name:
1-fluoro-3-prop-2-enylsulfanylbenzene
InChI:
InChI=1S/C9H9FS/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6H2
InChI Key:
WXORYGBPZIDPCR-UHFFFAOYSA-N
SMILES:
C=CCSc1cccc(c1)F
Properties
Complexity:
125
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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