Home Nitriles 1-Propyl-1,3-benzodiazole-5-carbonitrile

1-Propyl-1,3-benzodiazole-5-carbonitrile

CAS No.:
1403483-81-7
Catalog Number:
AG009X5X
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG009X5X
Chemical Name:
1-Propyl-1,3-benzodiazole-5-carbonitrile
CAS Number:
1403483-81-7
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
MDL Number:
MFCD21123473
IUPAC Name:
1-propylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C11H11N3/c1-2-5-14-8-13-10-6-9(7-12)3-4-11(10)14/h3-4,6,8H,2,5H2,1H3
InChI Key:
ZQTHNHXICUXMMI-UHFFFAOYSA-N
SMILES:
CCCn1cnc2c1ccc(c2)C#N
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.23g/mol
Monoisotopic Mass:
185.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties