tert-butyl 4-(bromomethyl)benzimidazole-1-carboxylate


Chemical Name: tert-butyl 4-(bromomethyl)benzimidazole-1-carboxylate
CAS Number: 132873-77-9
Product Number: AG0011B5(AGN-PC-0NKUIR)
Synonyms:
MDL No:
Molecular Formula: C13H15BrN2O2
Molecular Weight: 311.1744

Identification/Properties


Computed Properties
Molecular Weight:
311.179g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
310.032g/mol
Monoisotopic Mass:
310.032g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
317
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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