Home Nitriles 1H-Benzimidazole-1-acetonitrile,2-ethyl-(9CI)

1H-Benzimidazole-1-acetonitrile,2-ethyl-(9CI)

CAS No.:
54980-88-0
Catalog Number:
AG00DWI6
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00DWI6
Chemical Name:
1H-Benzimidazole-1-acetonitrile,2-ethyl-(9CI)
CAS Number:
54980-88-0
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
MDL Number:
MFCD05722947
IUPAC Name:
2-(2-ethylbenzimidazol-1-yl)acetonitrile
InChI:
InChI=1S/C11H11N3/c1-2-11-13-9-5-3-4-6-10(9)14(11)8-7-12/h3-6H,2,8H2,1H3
InChI Key:
LDWRLUIROCONEB-UHFFFAOYSA-N
SMILES:
N#CCn1c(CC)nc2c1cccc2
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:
2.2  
Properties