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89505-30-6 | Piperidine, 1-[4-[[4-(trifluoromethyl)phenyl]azo]phenyl]-
CAS No: 89505-30-6 Catalog No: AG00415I MDL No:
Product Description
Catalog Number:
AG00415I
Chemical Name:
Piperidine, 1-[4-[[4-(trifluoromethyl)phenyl]azo]phenyl]-
CAS Number:
89505-30-6
Molecular Formula:
C18H18F3N3
Molecular Weight:
333.3508
IUPAC Name:
(4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene
InChI:
InChI=1S/C18H18F3N3/c19-18(20,21)14-4-6-15(7-5-14)22-23-16-8-10-17(11-9-16)24-12-2-1-3-13-24/h4-11H,1-3,12-13H2
InChI Key:
TUFBXBHCGUQFHA-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)N=Nc1ccc(cc1)N1CCCCC1)(F)F
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.145g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.358g/mol
Monoisotopic Mass:
333.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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