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Home > Fluorides > 942473-61-2
942473-61-2 | 3,5-Difluoro-phenoxyacetonitrile
CAS No: 942473-61-2 Catalog No: AG01EZF0 MDL No:MFCD09475446
Product Description
Catalog Number:
AG01EZF0
Chemical Name:
3,5-Difluoro-phenoxyacetonitrile
CAS Number:
942473-61-2
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD09475446
IUPAC Name:
2-(3,5-difluorophenoxy)acetonitrile
InChI:
InChI=1S/C8H5F2NO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,2H2
InChI Key:
REGNRTITFABROP-UHFFFAOYSA-N
SMILES:
N#CCOc1cc(F)cc(c1)F
Properties
Complexity:
179
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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