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137054-48-9 | Methanone, [3,4-bis(acetyloxy)-2-chlorophenyl](4-methyl-1-piperazinyl)-
CAS No: 137054-48-9 Catalog No: AG0012SH MDL No:
Product Description
Catalog Number:
AG0012SH
Chemical Name:
Methanone, [3,4-bis(acetyloxy)-2-chlorophenyl](4-methyl-1-piperazinyl)-
CAS Number:
137054-48-9
Molecular Formula:
C16H19ClN2O5
Molecular Weight:
354.7855
IUPAC Name:
[2-acetyloxy-3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl] acetate
InChI:
InChI=1S/C16H19ClN2O5/c1-10(20)23-13-5-4-12(14(17)15(13)24-11(2)21)16(22)19-8-6-18(3)7-9-19/h4-5H,6-9H2,1-3H3
InChI Key:
ZEBKIDJNBHMTJB-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)c1ccc(c(c1Cl)OC(=O)C)OC(=O)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.098g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.787g/mol
Monoisotopic Mass:
354.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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