4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[1-(tritritiomethyl)indol-3-yl]methanone


Chemical Name: 4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[1-(tritritiomethyl)indol-3-yl]methanone
CAS Number: 132036-88-5
Product Number: AG001037(AGN-PC-09QMPD)
Synonyms:
MDL No: MFCD19686956
Molecular Formula: C17H17N3O
Molecular Weight: 279.3364

Identification/Properties


Computed Properties
Molecular Weight:
279.343g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
279.137g/mol
Monoisotopic Mass:
279.137g/mol
Topological Polar Surface Area:
50.7A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
413
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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