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131739-13-4 | 1,1'-Biphenyl, 4'-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-pentyl-
CAS No: 131739-13-4 Catalog No: AG000ZNL MDL No:
Product Description
Catalog Number:
AG000ZNL
Chemical Name:
1,1'-Biphenyl, 4'-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-pentyl-
CAS Number:
131739-13-4
Molecular Formula:
C25H26ClF
Molecular Weight:
380.9253
IUPAC Name:
1-[4-[2-(4-chlorophenyl)ethyl]phenyl]-2-fluoro-4-pentylbenzene
InChI:
InChI=1S/C25H26ClF/c1-2-3-4-5-21-12-17-24(25(27)18-21)22-13-8-19(9-14-22)6-7-20-10-15-23(26)16-11-20/h8-18H,2-7H2,1H3
InChI Key:
QNQQWAKSXLYHAP-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(c(c1)F)c1ccc(cc1)CCc1ccc(cc1)Cl
EC Number:
603-504-4
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.171g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.931g/mol
Monoisotopic Mass:
380.171g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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