Home Aldehydes 1-Benzyl-1H-imidazole-5-carboxaldehyde

1-Benzyl-1H-imidazole-5-carboxaldehyde

CAS No.:
85102-99-4
Catalog Number:
AG0036D8
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$110
- +
5g
98%
In Stock USA
United States
$325
- +
10g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0036D8
Chemical Name:
1-Benzyl-1H-imidazole-5-carboxaldehyde
CAS Number:
85102-99-4
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD02179539
IUPAC Name:
3-benzylimidazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2
InChI Key:
QONDAZCJAPQGRX-UHFFFAOYSA-N
SMILES:
O=Cc1cncn1Cc1ccccc1
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and ocular effects of imidazole nitrolic acids. Journal of medicinal chemistry 20050630
Properties