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Home > Fluorides > 113743-16-1
113743-16-1 | Benzene, 1-[2-(4-pentylphenyl)ethyl]-4-(trifluoromethyl)-
CAS No: 113743-16-1 Catalog No: AG0009JG MDL No:
Product Description
Catalog Number:
AG0009JG
Chemical Name:
Benzene, 1-[2-(4-pentylphenyl)ethyl]-4-(trifluoromethyl)-
CAS Number:
113743-16-1
Molecular Formula:
C20H23F3
Molecular Weight:
320.3918
IUPAC Name:
1-pentyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
InChI:
InChI=1S/C20H23F3/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)20(21,22)23/h6-9,12-15H,2-5,10-11H2,1H3
InChI Key:
MJZKIWNNYAJOGU-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)CCc1ccc(cc1)C(F)(F)F
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.175g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.399g/mol
Monoisotopic Mass:
320.175g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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