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324776-77-4 | 1,4-Bis[(3-Iodophenyl)carbonyl]piperazine
CAS No: 324776-77-4 Catalog No: AG00I65J MDL No:MFCD01022223
Product Description
Catalog Number:
AG00I65J
Chemical Name:
1,4-Bis[(3-Iodophenyl)carbonyl]piperazine
CAS Number:
324776-77-4
Molecular Formula:
C18H16I2N2O2
Molecular Weight:
546.1408
MDL Number:
MFCD01022223
IUPAC Name:
[4-(3-iodobenzoyl)piperazin-1-yl]-(3-iodophenyl)methanone
InChI:
InChI=1S/C18H16I2N2O2/c19-15-5-1-3-13(11-15)17(23)21-7-9-22(10-8-21)18(24)14-4-2-6-16(20)12-14/h1-6,11-12H,7-10H2
InChI Key:
OKBFMRUDRLALFB-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1cccc(c1)I
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
545.93g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
546.147g/mol
Monoisotopic Mass:
545.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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