1-{4-[(3-acetyl-5-chloro-2-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one


Chemical Name: 1-{4-[(3-acetyl-5-chloro-2-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one
CAS Number: 1157885-84-1
Product Number: AG01A897(AG01A897)
Synonyms:
MDL No:
Molecular Formula: C15H19ClN2O3
Molecular Weight: 310.7760

Identification/Properties


Computed Properties
Molecular Weight:
310.778g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
310.108g/mol
Monoisotopic Mass:
310.108g/mol
Topological Polar Surface Area:
60.8A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
396
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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