AI-3


Chemical Name: AI-3
CAS Number: 882288-28-0
Product Number: AG01E5NC(AG01E5NC)
Synonyms:
MDL No:
Molecular Formula: C11H13ClO3S2
Molecular Weight: 292.8021

Identification/Properties


Computed Properties
Molecular Weight:
292.792g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
291.999g/mol
Monoisotopic Mass:
291.999g/mol
Topological Polar Surface Area:
87.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
438
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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