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Methyl 1-isopropyl-1H-benzo[d]imidazole-6-carboxylate

CAS No.:
1199773-14-2
Catalog Number:
AG000PXS
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG000PXS
Chemical Name:
Methyl 1-isopropyl-1H-benzo[d]imidazole-6-carboxylate
CAS Number:
1199773-14-2
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD13195711
IUPAC Name:
methyl 3-propan-2-ylbenzimidazole-5-carboxylate
InChI:
InChI=1S/C12H14N2O2/c1-8(2)14-7-13-10-5-4-9(6-11(10)14)12(15)16-3/h4-8H,1-3H3
InChI Key:
WSQONGVHLXDVAQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)n(cn2)C(C)C
Properties
Complexity:
268  
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:
0
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties