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Home > Fluorides > 139368-13-1
139368-13-1 | Phenol, 3-fluoro-5-[tetrahydro-4-(methylthio)-2H-pyran-4-yl]-
CAS No: 139368-13-1 Catalog No: AG001AVQ MDL No:
Product Description
Catalog Number:
AG001AVQ
Chemical Name:
Phenol, 3-fluoro-5-[tetrahydro-4-(methylthio)-2H-pyran-4-yl]-
CAS Number:
139368-13-1
Molecular Formula:
C12H15FO2S
Molecular Weight:
242.3097
IUPAC Name:
3-fluoro-5-(4-methylsulfanyloxan-4-yl)phenol
InChI:
InChI=1S/C12H15FO2S/c1-16-12(2-4-15-5-3-12)9-6-10(13)8-11(14)7-9/h6-8,14H,2-5H2,1H3
InChI Key:
QCMUFYAKUCKNEC-UHFFFAOYSA-N
SMILES:
CSC1(CCOCC1)c1cc(O)cc(c1)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.308g/mol
Monoisotopic Mass:
242.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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