CCT036477


Chemical Name: CCT036477
CAS Number: 305372-78-5
Product Number: AG0030HH(AGN-PC-0WAG1U)
Synonyms:
MDL No:
Molecular Formula: C21H18ClN3
Molecular Weight: 347.8407

Identification/Properties


Computed Properties
Molecular Weight:
347.846g/mol
XLogP3:
5.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
347.119g/mol
Monoisotopic Mass:
347.119g/mol
Topological Polar Surface Area:
40.7A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
423
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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