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Methyl 1-tert-butyl-1H-benzo[d]imidazole-6-carboxylate

CAS No.:
1199773-49-3
Catalog Number:
AG000PY7
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$350
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG000PY7
Chemical Name:
Methyl 1-tert-butyl-1H-benzo[d]imidazole-6-carboxylate
CAS Number:
1199773-49-3
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD13195712
IUPAC Name:
methyl 3-tert-butylbenzimidazole-5-carboxylate
InChI:
InChI=1S/C13H16N2O2/c1-13(2,3)15-8-14-10-6-5-9(7-11(10)15)12(16)17-4/h5-8H,1-4H3
InChI Key:
MMBVDJZSBYSXHM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)n(cn2)C(C)(C)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties