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Home > Fluorides > 1379161-50-8
1379161-50-8 | 3-(2,6-Difluoro-phenoxy)propanenitrile
CAS No: 1379161-50-8 Catalog No: AG01FCOI MDL No:
Product Description
Catalog Number:
AG01FCOI
Chemical Name:
3-(2,6-Difluoro-phenoxy)propanenitrile
CAS Number:
1379161-50-8
Molecular Formula:
C9H7F2NO
Molecular Weight:
183.1548
IUPAC Name:
3-(2,6-difluorophenoxy)propanenitrile
InChI:
InChI=1S/C9H7F2NO/c10-7-3-1-4-8(11)9(7)13-6-2-5-12/h1,3-4H,2,6H2
InChI Key:
UVFIWHPWONVLQV-UHFFFAOYSA-N
SMILES:
N#CCCOc1c(F)cccc1F
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.158g/mol
Monoisotopic Mass:
183.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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