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87946-91-6 | 1,1'-Biphenyl, 4'-butoxy-3-fluoro-4-pentyl-
CAS No: 87946-91-6 Catalog No: AG004GC3 MDL No:
Product Description
Catalog Number:
AG004GC3
Chemical Name:
1,1'-Biphenyl, 4'-butoxy-3-fluoro-4-pentyl-
CAS Number:
87946-91-6
Molecular Formula:
C21H27FO
Molecular Weight:
314.4369
IUPAC Name:
4-(4-butoxyphenyl)-2-fluoro-1-pentylbenzene
InChI:
InChI=1S/C21H27FO/c1-3-5-7-8-18-9-10-19(16-21(18)22)17-11-13-20(14-12-17)23-15-6-4-2/h9-14,16H,3-8,15H2,1-2H3
InChI Key:
VVEYLVKQTIZHRP-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1F)c1ccc(cc1)OCCCC
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.444g/mol
Monoisotopic Mass:
314.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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