Home Carboxys 1-t-Butyl-benzoimidazole-6-carboxylic acid

1-t-Butyl-benzoimidazole-6-carboxylic acid

CAS No.:
1199773-33-5
Catalog Number:
AG000PX9
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$188
- +
5g
97%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG000PX9
Chemical Name:
1-t-Butyl-benzoimidazole-6-carboxylic acid
CAS Number:
1199773-33-5
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD11043013
IUPAC Name:
3-tert-butylbenzimidazole-5-carboxylic acid
InChI:
InChI=1S/C12H14N2O2/c1-12(2,3)14-7-13-9-5-4-8(11(15)16)6-10(9)14/h4-7H,1-3H3,(H,15,16)
InChI Key:
AGJWGCANKYVLTQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)n(cn2)C(C)(C)C
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties