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Home > Fluorides > 877052-45-4
877052-45-4 | Thiophene, 3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-
CAS No: 877052-45-4 Catalog No: AG004GL0 MDL No:
Product Description
Catalog Number:
AG004GL0
Chemical Name:
Thiophene, 3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-
CAS Number:
877052-45-4
Molecular Formula:
C21H27FS
Molecular Weight:
330.5025
IUPAC Name:
3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]thiophene
InChI:
InChI=1S/C21H27FS/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-11-20(21(22)14-18)19-12-13-23-15-19/h10-17H,2-9H2,1H3
InChI Key:
LVFYLBSPONFUAC-UHFFFAOYSA-N
SMILES:
CCCCCC1CCC(CC1)c1ccc(c(c1)F)c1cscc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.182g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.505g/mol
Monoisotopic Mass:
330.182g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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