5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid


Chemical Name: 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
CAS Number: 683241-92-1
Product Number: AG00G1UC(AGN-PC-00CLR7)
Synonyms:
MDL No:
Molecular Formula: C15H20ClN3O4
Molecular Weight: 341.7900

Identification/Properties


Computed Properties
Molecular Weight:
341.792g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
341.114g/mol
Monoisotopic Mass:
341.114g/mol
Topological Polar Surface Area:
83A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
447
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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