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

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

CAS No.:
1065100-55-1
Catalog Number:
AG007UNK
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$225
- +
10g
96%
In Stock USA
United States
$350
- +
25g
96%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG007UNK
Chemical Name:
1-Methyl-1,2,3-benzotriazole-5-carbonitrile
CAS Number:
1065100-55-1
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
MDL Number:
MFCD11054186
IUPAC Name:
1-methylbenzotriazole-5-carbonitrile
InChI:
InChI=1S/C8H6N4/c1-12-8-3-2-6(5-9)4-7(8)10-11-12/h2-4H,1H3
InChI Key:
ROIYELGCEZSLTK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nnn2C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties