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Home > Fluorides > 148901-52-4
148901-52-4 | Benzonitrile, 2-fluoro-6-[4-(methylthio)phenoxy]-
CAS No: 148901-52-4 Catalog No: AG001L9X MDL No:MFCD00068069
Product Description
Catalog Number:
AG001L9X
Chemical Name:
Benzonitrile, 2-fluoro-6-[4-(methylthio)phenoxy]-
CAS Number:
148901-52-4
Molecular Formula:
C14H10FNOS
Molecular Weight:
259.2987
MDL Number:
MFCD00068069
IUPAC Name:
2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile
InChI:
InChI=1S/C14H10FNOS/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChI Key:
KIJMTRJIUKHLPE-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)Oc1cccc(c1C#N)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.298g/mol
Monoisotopic Mass:
259.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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