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Home > Fluorides > 119321-50-5
119321-50-5 | Benzenemethanol, 4-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propoxy]-
CAS No: 119321-50-5 Catalog No: AG000ILG MDL No:
Product Description
Catalog Number:
AG000ILG
Chemical Name:
Benzenemethanol, 4-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propoxy]-
CAS Number:
119321-50-5
Molecular Formula:
C21H25F3N2O2
Molecular Weight:
394.4306
IUPAC Name:
[4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]methanol
InChI:
InChI=1S/C21H25F3N2O2/c22-21(23,24)18-3-1-4-19(15-18)26-12-10-25(11-13-26)9-2-14-28-20-7-5-17(16-27)6-8-20/h1,3-8,15,27H,2,9-14,16H2
InChI Key:
PWPUQWPVRWROSM-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)OCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.187g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.438g/mol
Monoisotopic Mass:
394.187g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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