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

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

CAS No.:
879558-15-3
Catalog Number:
AG00GVFP
Molecular Formula:
C10H10N4
Molecular Weight:
186.2132
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
10g
98%
In Stock USA
United States
$263
- +
25g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00GVFP
Chemical Name:
1-Isopropyl-1,2,3-benzotriazole-5-carbonitrile
CAS Number:
879558-15-3
Molecular Formula:
C10H10N4
Molecular Weight:
186.2132
MDL Number:
MFCD09031714
IUPAC Name:
1-propan-2-ylbenzotriazole-5-carbonitrile
InChI:
InChI=1S/C10H10N4/c1-7(2)14-10-4-3-8(6-11)5-9(10)12-13-14/h3-5,7H,1-2H3
InChI Key:
HDWQPSYFWYMOAQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nnn2C(C)C
Properties
Complexity:
254  
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:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties