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848814-26-6 | Piperazine, 1-[2-(2-hydroxyethoxy)ethyl]-4-(2-iodobenzoyl)-
CAS No: 848814-26-6 Catalog No: AG004MF3 MDL No:
Product Description
Catalog Number:
AG004MF3
Chemical Name:
Piperazine, 1-[2-(2-hydroxyethoxy)ethyl]-4-(2-iodobenzoyl)-
CAS Number:
848814-26-6
Molecular Formula:
C15H21IN2O3
Molecular Weight:
404.2433
IUPAC Name:
[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-(2-iodophenyl)methanone
InChI:
InChI=1S/C15H21IN2O3/c16-14-4-2-1-3-13(14)15(20)18-7-5-17(6-8-18)9-11-21-12-10-19/h1-4,19H,5-12H2
InChI Key:
MBBFVTYKIJMOJW-UHFFFAOYSA-N
SMILES:
OCCOCCN1CCN(CC1)C(=O)c1ccccc1I
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.06g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.248g/mol
Monoisotopic Mass:
404.06g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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