Home Carboxys 1H-Benzimidazole-1-carboxylic acid, 2,3-dihydro-2-oxo-, 1,1-dimethylethyl ester

1H-Benzimidazole-1-carboxylic acid, 2,3-dihydro-2-oxo-, 1,1-dimethylethyl ester

CAS No.:
161468-45-7
Catalog Number:
AG001SHT
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$75
- +
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG001SHT
Chemical Name:
1H-Benzimidazole-1-carboxylic acid, 2,3-dihydro-2-oxo-, 1,1-dimethylethyl ester
CAS Number:
161468-45-7
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD02179636
IUPAC Name:
tert-butyl 2-oxo-3H-benzimidazole-1-carboxylate
InChI:
InChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-9-7-5-4-6-8(9)13-10(14)15/h4-7H,1-3H3,(H,13,15)
InChI Key:
GMUWCTKADZFKLT-UHFFFAOYSA-N
SMILES:
O=C(n1c(=O)[nH]c2c1cccc2)OC(C)(C)C
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties