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Home > Fluorides > 130612-84-9
130612-84-9 | Acetonitrile, 2-fluoro-2-(phenylthio)-
CAS No: 130612-84-9 Catalog No: AG000UP5 MDL No:MFCD06797105
Product Description
Catalog Number:
AG000UP5
Chemical Name:
Acetonitrile, 2-fluoro-2-(phenylthio)-
CAS Number:
130612-84-9
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
MDL Number:
MFCD06797105
IUPAC Name:
2-fluoro-2-phenylsulfanylacetonitrile
InChI:
InChI=1S/C8H6FNS/c9-8(6-10)11-7-4-2-1-3-5-7/h1-5,8H
InChI Key:
VAMSBCYZRBSCPJ-UHFFFAOYSA-N
SMILES:
FC(Sc1ccccc1)C#N
Properties
Complexity:
157
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:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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