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Ethyl benzimidazole-5-carboxylate

CAS No.:
58842-61-8
Catalog Number:
AG00EKOX
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$113
- +
5g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00EKOX
Chemical Name:
Ethyl benzimidazole-5-carboxylate
CAS Number:
58842-61-8
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD09027455
IUPAC Name:
ethyl 3H-benzimidazole-5-carboxylate
InChI:
InChI=1S/C10H10N2O2/c1-2-14-10(13)7-3-4-8-9(5-7)12-6-11-8/h3-6H,2H2,1H3,(H,11,12)
InChI Key:
HUOIDCCHUGUZQS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)nc[nH]2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Ethyl 1-sec-butyl-2-(4-chloro-phen-yl)-1H-benzimidazole-5-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20100901
Properties