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

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

CAS No.:
1400644-57-6
Catalog Number:
AG009X5Y
Molecular Formula:
C10H10N4
Molecular Weight:
186.2132
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:
AG009X5Y
Chemical Name:
1-Propyl-1,2,3-benzotriazole-5-carbonitrile
CAS Number:
1400644-57-6
Molecular Formula:
C10H10N4
Molecular Weight:
186.2132
MDL Number:
MFCD22421517
IUPAC Name:
1-propylbenzotriazole-5-carbonitrile
InChI:
InChI=1S/C10H10N4/c1-2-5-14-10-4-3-8(7-11)6-9(10)12-13-14/h3-4,6H,2,5H2,1H3
InChI Key:
WFCOKXDIAHJTGU-UHFFFAOYSA-N
SMILES:
CCCn1nnc2c1ccc(c2)C#N
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.091g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.218g/mol
Monoisotopic Mass:
186.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties