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Home > Fluorides > 208844-07-9
208844-07-9 | Benzonitrile, 4-(trans-4-ethylcyclohexyl)-2,6-difluoro-
CAS No: 208844-07-9 Catalog No: AG002JX1 MDL No:
Product Description
Catalog Number:
AG002JX1
Chemical Name:
Benzonitrile, 4-(trans-4-ethylcyclohexyl)-2,6-difluoro-
CAS Number:
208844-07-9
Molecular Formula:
C15H17F2N
Molecular Weight:
249.2990
IUPAC Name:
4-(4-ethylcyclohexyl)-2,6-difluorobenzonitrile
InChI:
InChI=1S/C15H17F2N/c1-2-10-3-5-11(6-4-10)12-7-14(16)13(9-18)15(17)8-12/h7-8,10-11H,2-6H2,1H3
InChI Key:
AHMVWTCTRTWLHL-UHFFFAOYSA-N
SMILES:
CC[C@@H]1CC[C@H](CC1)c1cc(F)c(c(c1)F)C#N
EC Number:
606-664-3
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.305g/mol
Monoisotopic Mass:
249.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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