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

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

CAS No.:
1393442-39-1
Catalog Number:
AG009WRT
Molecular Formula:
C12H12N4
Molecular Weight:
212.2505
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG009WRT
Chemical Name:
1-Cyclopentyl-1,2,3-benzotriazole-5-carbonitrile
CAS Number:
1393442-39-1
Molecular Formula:
C12H12N4
Molecular Weight:
212.2505
MDL Number:
MFCD22383711
IUPAC Name:
1-cyclopentylbenzotriazole-5-carbonitrile
InChI:
InChI=1S/C12H12N4/c13-8-9-5-6-12-11(7-9)14-15-16(12)10-3-1-2-4-10/h5-7,10H,1-4H2
InChI Key:
QDCIBDZLIWBJHQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nnn2C1CCCC1
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.256g/mol
Monoisotopic Mass:
212.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties