Home Other Building Blocks 3-fluorophenoxathiine

3-fluorophenoxathiine

CAS No.:
205187-77-5
Catalog Number:
AG01DK5R
Molecular Formula:
C12H7FOS
Molecular Weight:
218.2468
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Product Description
Catalog Number:
AG01DK5R
Chemical Name:
3-fluorophenoxathiine
CAS Number:
205187-77-5
Molecular Formula:
C12H7FOS
Molecular Weight:
218.2468
MDL Number:
MFCD20270773
IUPAC Name:
3-fluorophenoxathiine
InChI:
InChI=1S/C12H7FOS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7H
InChI Key:
CUKQYCCSGWUSNV-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)Oc1c(S2)cccc1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.02g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.245g/mol
Monoisotopic Mass:
218.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties