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84344-65-0 | 4-(3-(4-(3-(TRIFLUOROMETHYL)PHENYL)-(PIPERAZIN-1-YL))PROPOXY)BENZALDEHYDE
CAS No: 84344-65-0 Catalog No: AG004T8E MDL No:
Product Description
Catalog Number:
AG004T8E
Chemical Name:
4-(3-(4-(3-(TRIFLUOROMETHYL)PHENYL)-(PIPERAZIN-1-YL))PROPOXY)BENZALDEHYDE
CAS Number:
84344-65-0
Molecular Formula:
C21H23F3N2O2
Molecular Weight:
392.4147
IUPAC Name:
4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]benzaldehyde
InChI:
InChI=1S/C21H23F3N2O2/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/h1,3-8,15-16H,2,9-14H2
InChI Key:
BENHOCSWVAGQEL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.171g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.422g/mol
Monoisotopic Mass:
392.171g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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