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

1-Ethyl-1,3-benzodiazole-5-carbonitrile

CAS No.:
1120244-47-4
Catalog Number:
AG008VLM
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$50
- +
5g
96%
In Stock USA
United States
$137
- +
25g
96%
In Stock USA
United States
$413
- +
Product Description
Catalog Number:
AG008VLM
Chemical Name:
1-Ethyl-1,3-benzodiazole-5-carbonitrile
CAS Number:
1120244-47-4
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
MDL Number:
MFCD12827521
IUPAC Name:
1-ethylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C10H9N3/c1-2-13-7-12-9-5-8(6-11)3-4-10(9)13/h3-5,7H,2H2,1H3
InChI Key:
UHXUPSPGFPYATJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ncn2CC
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.08g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.203g/mol
Monoisotopic Mass:
171.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties