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1443346-08-4 | 6-(3,5-Difluoro-phenoxy)hexanenitrile
CAS No: 1443346-08-4 Catalog No: AG01FD71 MDL No:
Product Description
Catalog Number:
AG01FD71
Chemical Name:
6-(3,5-Difluoro-phenoxy)hexanenitrile
CAS Number:
1443346-08-4
Molecular Formula:
C12H13F2NO
Molecular Weight:
225.2345
IUPAC Name:
6-(3,5-difluorophenoxy)hexanenitrile
InChI:
InChI=1S/C12H13F2NO/c13-10-7-11(14)9-12(8-10)16-6-4-2-1-3-5-15/h7-9H,1-4,6H2
InChI Key:
QKKIYQVHYLKIGA-UHFFFAOYSA-N
SMILES:
N#CCCCCCOc1cc(F)cc(c1)F
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.239g/mol
Monoisotopic Mass:
225.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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