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Home > Fluorides > 1431294-01-7
1431294-01-7 | 5-(3,5-Difluoro-phenoxy)pentanenitrile
CAS No: 1431294-01-7 Catalog No: AG01FCPW MDL No:
Product Description
Catalog Number:
AG01FCPW
Chemical Name:
5-(3,5-Difluoro-phenoxy)pentanenitrile
CAS Number:
1431294-01-7
Molecular Formula:
C11H11F2NO
Molecular Weight:
211.2079
IUPAC Name:
5-(3,5-difluorophenoxy)pentanenitrile
InChI:
InChI=1S/C11H11F2NO/c12-9-6-10(13)8-11(7-9)15-5-3-1-2-4-14/h6-8H,1-3,5H2
InChI Key:
PCQMWZDDCSFKAB-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1cc(F)cc(c1)F
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.212g/mol
Monoisotopic Mass:
211.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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