Home Other Building Blocks 1-(Isocyanomethyl)-1h-benzotriazole

1-(Isocyanomethyl)-1h-benzotriazole

CAS No.:
87022-42-2
Catalog Number:
AG003D3D
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$300
- +
1g
95%
1 week
United States
$564
- +
Product Description
Catalog Number:
AG003D3D
Chemical Name:
1-(Isocyanomethyl)-1h-benzotriazole
CAS Number:
87022-42-2
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
MDL Number:
MFCD00961633
IUPAC Name:
1-(isocyanomethyl)benzotriazole
InChI:
InChI=1S/C8H6N4/c1-9-6-12-8-5-3-2-4-7(8)10-11-12/h2-5H,6H2
InChI Key:
YZTNZXMSOPEFKC-UHFFFAOYSA-N
SMILES:
[C-]#[N+]Cn1nnc2c1cccc2
Properties
Complexity:
206  
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:
1  
Topological Polar Surface Area:
35.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties