Home Nitriles 1-Ethyl-1,2,3-benzotriazole-5-carbonitrile

1-Ethyl-1,2,3-benzotriazole-5-carbonitrile

CAS No.:
1119505-52-0
Catalog Number:
AG007V1R
Molecular Formula:
C9H8N4
Molecular Weight:
172.1866
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:
AG007V1R
Chemical Name:
1-Ethyl-1,2,3-benzotriazole-5-carbonitrile
CAS Number:
1119505-52-0
Molecular Formula:
C9H8N4
Molecular Weight:
172.1866
MDL Number:
MFCD13881240
IUPAC Name:
1-ethylbenzotriazole-5-carbonitrile
InChI:
InChI=1S/C9H8N4/c1-2-13-9-4-3-7(6-10)5-8(9)11-12-13/h3-5H,2H2,1H3
InChI Key:
QXYWGWKUYHTRJX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nnn2CC
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.191g/mol
Monoisotopic Mass:
172.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties