CiliobrevinA


Chemical Name: CiliobrevinA
CAS Number: 302803-72-1
Product Number: AG002ZGX(AGN-PC-0WAG25)
Synonyms:
MDL No:
Molecular Formula: C17H9Cl2N3O2
Molecular Weight: 358.1783

Identification/Properties


Computed Properties
Molecular Weight:
358.178g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
357.007g/mol
Monoisotopic Mass:
357.007g/mol
Topological Polar Surface Area:
85.5A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
637
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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