Home Nitriles 1H-Benzimidazole-1-acetonitrile,5,6-dimethyl-(9CI)

1H-Benzimidazole-1-acetonitrile,5,6-dimethyl-(9CI)

CAS No.:
167980-30-5
Catalog Number:
AG00AD2V
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00AD2V
Chemical Name:
1H-Benzimidazole-1-acetonitrile,5,6-dimethyl-(9CI)
CAS Number:
167980-30-5
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
MDL Number:
MFCD09880357
IUPAC Name:
2-(5,6-dimethylbenzimidazol-1-yl)acetonitrile
InChI:
InChI=1S/C11H11N3/c1-8-5-10-11(6-9(8)2)14(4-3-12)7-13-10/h5-7H,4H2,1-2H3
InChI Key:
BPRBGPQPKWEUAR-UHFFFAOYSA-N
SMILES:
N#CCn1cnc2c1cc(C)c(c2)C
Properties
Complexity:
255  
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:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties