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1443304-57-1 | 6-(2-Chloro-4-fluoro-phenoxy)hexanenitrile
CAS No: 1443304-57-1 Catalog No: AG01FBAS MDL No:
Product Description
Catalog Number:
AG01FBAS
Chemical Name:
6-(2-Chloro-4-fluoro-phenoxy)hexanenitrile
CAS Number:
1443304-57-1
Molecular Formula:
C12H13ClFNO
Molecular Weight:
241.6891
IUPAC Name:
6-(2-chloro-4-fluorophenoxy)hexanenitrile
InChI:
InChI=1S/C12H13ClFNO/c13-11-9-10(14)5-6-12(11)16-8-4-2-1-3-7-15/h5-6,9H,1-4,8H2
InChI Key:
HTJHJKOANKICFX-UHFFFAOYSA-N
SMILES:
N#CCCCCCOc1ccc(cc1Cl)F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.69g/mol
Monoisotopic Mass:
241.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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