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Home > Fluorides > 116617-31-3
116617-31-3 | Benzeneacetonitrile, 2-cyano-α-(4-fluorophenyl)-
CAS No: 116617-31-3 Catalog No: AG000CWL MDL No:MFCD00231953
Product Description
Catalog Number:
AG000CWL
Chemical Name:
Benzeneacetonitrile, 2-cyano-α-(4-fluorophenyl)-
CAS Number:
116617-31-3
Molecular Formula:
C15H9FN2
Molecular Weight:
236.2438
MDL Number:
MFCD00231953
IUPAC Name:
2-[cyano-(4-fluorophenyl)methyl]benzonitrile
InChI:
InChI=1S/C15H9FN2/c16-13-7-5-11(6-8-13)15(10-18)14-4-2-1-3-12(14)9-17/h1-8,15H
InChI Key:
BRHKEEJUFXPRIJ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1C#N)c1ccc(cc1)F
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.249g/mol
Monoisotopic Mass:
236.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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