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85582-53-2 | Ethyl 3-fluorobenzyl sulfide
CAS No: 85582-53-2 Catalog No: AG01FFC6 MDL No:
Product Description
Catalog Number:
AG01FFC6
Chemical Name:
Ethyl 3-fluorobenzyl sulfide
CAS Number:
85582-53-2
Molecular Formula:
C9H11FS
Molecular Weight:
170.2470
IUPAC Name:
1-(ethylsulfanylmethyl)-3-fluorobenzene
InChI:
InChI=1S/C9H11FS/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6H,2,7H2,1H3
InChI Key:
RFFYYXCZCKNCSL-UHFFFAOYSA-N
SMILES:
CCSCc1cccc(c1)F
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.057g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.245g/mol
Monoisotopic Mass:
170.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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