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85169-02-4 | 3-(4-Fluorophenoxy)propanenitrile
CAS No: 85169-02-4 Catalog No: AG003I4D MDL No:MFCD01569391
Product Description
Catalog Number:
AG003I4D
Chemical Name:
3-(4-Fluorophenoxy)propanenitrile
CAS Number:
85169-02-4
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
MDL Number:
MFCD01569391
IUPAC Name:
3-(4-fluorophenoxy)propanenitrile
InChI:
InChI=1S/C9H8FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2
InChI Key:
MSQBUHCLFYFIGC-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(cc1)F
EC Number:
285-945-9
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.167g/mol
Monoisotopic Mass:
165.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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