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Home > Fluorides > 119584-71-3
119584-71-3 | Benzonitrile, 2-fluoro-6-(methylthio)-
CAS No: 119584-71-3 Catalog No: AG000IZS MDL No:MFCD21643610
Product Description
Catalog Number:
AG000IZS
Chemical Name:
Benzonitrile, 2-fluoro-6-(methylthio)-
CAS Number:
119584-71-3
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
MDL Number:
MFCD21643610
IUPAC Name:
2-fluoro-6-methylsulfanylbenzonitrile
InChI:
InChI=1S/C8H6FNS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3
InChI Key:
SRKIJSXUFKQFPE-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1C#N)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.201g/mol
Monoisotopic Mass:
167.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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