Home Nitriles 1H-1,2,3-Benzotriazole-5-carbonitrile

1H-1,2,3-Benzotriazole-5-carbonitrile

CAS No.:
24611-70-9
Catalog Number:
AG002ORR
Molecular Formula:
C7H4N4
Molecular Weight:
144.1335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$69
- +
5g
98%
In Stock USA
United States
$225
- +
10g
98%
In Stock USA
United States
$400
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG002ORR
Chemical Name:
1H-1,2,3-Benzotriazole-5-carbonitrile
CAS Number:
24611-70-9
Molecular Formula:
C7H4N4
Molecular Weight:
144.1335
MDL Number:
MFCD08669484
IUPAC Name:
2H-benzotriazole-5-carbonitrile
InChI:
InChI=1S/C7H4N4/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,(H,9,10,11)
InChI Key:
OEBMOZBCDOBXAN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]nn2
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.044g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.137g/mol
Monoisotopic Mass:
144.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties