1H-Benzimidazole-1-carboxylic acid, 2-chloro-, 1,1-dimethylethyl ester


Chemical Name: 1H-Benzimidazole-1-carboxylic acid, 2-chloro-, 1,1-dimethylethyl ester
CAS Number: 214147-60-1
Product Number: AG00BJ9D(AGN-PC-0438ID)
Synonyms:
MDL No:
Molecular Formula: C12H13ClN2O2
Molecular Weight: 252.6968

Identification/Properties


Computed Properties
Molecular Weight:
252.698g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
252.067g/mol
Monoisotopic Mass:
252.067g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
303
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Tert-Butyl 2-chloro-1H-benzo[d]imidazole-1-carboxylate is a versatile compound that finds wide application in chemical synthesis. This compound serves as a valuable building block in the creation of various organic molecules with important functionalities. Its unique structure enables it to participate in a range of reactions, making it a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials. With its reactivity and diverse potential for derivatization, tert-Butyl 2-chloro-1H-benzo[d]imidazole-1-carboxylate is a crucial component in the toolbox of synthetic chemists aiming to design and develop novel compounds with tailored properties.