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

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

CAS No.:
1393442-44-8
Catalog Number:
AG009X14
Molecular Formula:
C13H14N4
Molecular Weight:
226.2771
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:
AG009X14
Chemical Name:
1-Cyclohexyl-1,2,3-benzotriazole-5-carbonitrile
CAS Number:
1393442-44-8
Molecular Formula:
C13H14N4
Molecular Weight:
226.2771
MDL Number:
MFCD22383712
IUPAC Name:
1-cyclohexylbenzotriazole-5-carbonitrile
InChI:
InChI=1S/C13H14N4/c14-9-10-6-7-13-12(8-10)15-16-17(13)11-4-2-1-3-5-11/h6-8,11H,1-5H2
InChI Key:
MJOUMNCIFSQQHC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nnn2C1CCCCC1
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.122g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.283g/mol
Monoisotopic Mass:
226.122g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties