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Home > Fluorides > 116109-47-8
116109-47-8 | Benzene, [(1-fluoro-2-phenylcyclopropyl)thio]-
CAS No: 116109-47-8 Catalog No: AG000BNG MDL No:
Product Description
Catalog Number:
AG000BNG
Chemical Name:
Benzene, [(1-fluoro-2-phenylcyclopropyl)thio]-
CAS Number:
116109-47-8
Molecular Formula:
C15H13FS
Molecular Weight:
244.3271
IUPAC Name:
(1-fluoro-2-phenylcyclopropyl)sulfanylbenzene
InChI:
InChI=1S/C15H13FS/c16-15(17-13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12/h1-10,14H,11H2
InChI Key:
FZGCPURQCHTVCC-UHFFFAOYSA-N
SMILES:
FC1(Sc2ccccc2)CC1c1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.327g/mol
Monoisotopic Mass:
244.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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