Home Aldehydes 3-(1H-Imidazol-1-yl)benzaldehyde

3-(1H-Imidazol-1-yl)benzaldehyde

CAS No.:
127404-22-2
Catalog Number:
AG000X13
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>97%
In Stock USA
United States
$40
- +
5g
>97%
In Stock USA
United States
$82
- +
Product Description
Catalog Number:
AG000X13
Chemical Name:
3-(1H-Imidazol-1-yl)benzaldehyde
CAS Number:
127404-22-2
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD09836178
IUPAC Name:
3-imidazol-1-ylbenzaldehyde
InChI:
InChI=1S/C10H8N2O/c13-7-9-2-1-3-10(6-9)12-5-4-11-8-12/h1-8H
InChI Key:
CGTQCZGDVDTRDI-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)n1cncc1
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties