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Home > Fluorides > 302602-59-1
302602-59-1 | 5-(4-Butyl-cyclohexyl)-2-(3-fluoro-4-methoxy-phenyl)-pyridine
CAS No: 302602-59-1 Catalog No: AG01F6JX MDL No:
Product Description
Catalog Number:
AG01F6JX
Chemical Name:
5-(4-Butyl-cyclohexyl)-2-(3-fluoro-4-methoxy-phenyl)-pyridine
CAS Number:
302602-59-1
Molecular Formula:
C22H28FNO
Molecular Weight:
341.4622
IUPAC Name:
5-(4-butylcyclohexyl)-2-(3-fluoro-4-methoxyphenyl)pyridine
InChI:
InChI=1S/C22H28FNO/c1-3-4-5-16-6-8-17(9-7-16)19-10-12-21(24-15-19)18-11-13-22(25-2)20(23)14-18/h10-17H,3-9H2,1-2H3
InChI Key:
PRFBCWPSGUKZFO-UHFFFAOYSA-N
SMILES:
CCCCC1CCC(CC1)c1ccc(nc1)c1ccc(c(c1)F)OC
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.215g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.47g/mol
Monoisotopic Mass:
341.215g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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