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Home > Fluorides > 124436-31-3
124436-31-3 | Piperazine, 1-[2-(4-azido-3-iodophenyl)ethyl]-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-
CAS No: 124436-31-3 Catalog No: AG000M0N MDL No:
Product Description
Catalog Number:
AG000M0N
Chemical Name:
Piperazine, 1-[2-(4-azido-3-iodophenyl)ethyl]-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-
CAS Number:
124436-31-3
Molecular Formula:
C27H28F2IN5O
Molecular Weight:
603.4454
IUPAC Name:
1-[2-(4-azido-3-iodophenyl)ethyl]-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine
InChI:
InChI=1S/C27H28F2IN5O/c28-23-6-2-21(3-7-23)27(22-4-8-24(29)9-5-22)36-18-17-35-15-13-34(14-16-35)12-11-20-1-10-26(32-33-31)25(30)19-20/h1-10,19,27H,11-18H2
InChI Key:
KLFMCCLJVZSQJO-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1I)CCN1CCN(CC1)CCOC(c1ccc(cc1)F)c1ccc(cc1)F
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
603.131g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
603.456g/mol
Monoisotopic Mass:
603.131g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
30.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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