SJ 172550


Chemical Name: SJ 172550
CAS Number: 431979-47-4
Product Number: AG00DB7H(AGN-PC-0WAI7B)
Synonyms:
MDL No:
Molecular Formula: C22H21ClN2O5
Molecular Weight: 428.8655

Identification/Properties


Computed Properties
Molecular Weight:
428.869g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
428.114g/mol
Monoisotopic Mass:
428.114g/mol
Topological Polar Surface Area:
77.4A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
689
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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