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Home > Fluorides > 857279-52-8
857279-52-8 | 2,5-Difluoro-phenoxyacetonitrile
CAS No: 857279-52-8 Catalog No: AG01EXU3 MDL No:MFCD09475444
Product Description
Catalog Number:
AG01EXU3
Chemical Name:
2,5-Difluoro-phenoxyacetonitrile
CAS Number:
857279-52-8
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD09475444
IUPAC Name:
2-(2,5-difluorophenoxy)acetonitrile
InChI:
InChI=1S/C8H5F2NO/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-2,5H,4H2
InChI Key:
IGFADUAFKHQKNB-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1OCC#N)F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.131g/mol
Monoisotopic Mass:
169.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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