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126517-35-9 | Piperazine, 1-[2-[(2-chlorophenyl)(3-chlorophenyl)methoxy]ethyl]-4-methyl-, ethanedioate (1:2)
CAS No: 126517-35-9 Catalog No: AG000SVK MDL No:
Product Description
Catalog Number:
AG000SVK
Chemical Name:
Piperazine, 1-[2-[(2-chlorophenyl)(3-chlorophenyl)methoxy]ethyl]-4-methyl-, ethanedioate (1:2)
CAS Number:
126517-35-9
Molecular Formula:
C24H28Cl2N2O9
Molecular Weight:
559.3931
IUPAC Name:
1-[2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]ethyl]-4-methylpiperazine;oxalic acid
InChI:
InChI=1S/C20H24Cl2N2O.2C2H2O4/c1-23-9-11-24(12-10-23)13-14-25-20(16-5-4-6-17(21)15-16)18-7-2-3-8-19(18)22;2*3-1(4)2(5)6/h2-8,15,20H,9-14H2,1H3;2*(H,3,4)(H,5,6)
InChI Key:
HLVWICNKEVWTOG-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.OC(=O)C(=O)O.CN1CCN(CC1)CCOC(c1ccccc1Cl)c1cccc(c1)Cl
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.117g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
559.393g/mol
Monoisotopic Mass:
558.117g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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