Home Nitriles 7-Bromo-1-butyl-1,2,3-benzotriazole-5-carbonitrile

7-Bromo-1-butyl-1,2,3-benzotriazole-5-carbonitrile

CAS No.:
1437794-90-5
Catalog Number:
AG00AQHB
Molecular Formula:
C11H11BrN4
Molecular Weight:
279.1358
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$200
- +
5g
96%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00AQHB
Chemical Name:
7-Bromo-1-butyl-1,2,3-benzotriazole-5-carbonitrile
CAS Number:
1437794-90-5
Molecular Formula:
C11H11BrN4
Molecular Weight:
279.1358
MDL Number:
MFCD24448838
IUPAC Name:
7-bromo-1-butylbenzotriazole-5-carbonitrile
InChI:
InChI=1S/C11H11BrN4/c1-2-3-4-16-11-9(12)5-8(7-13)6-10(11)14-15-16/h5-6H,2-4H2,1H3
InChI Key:
YXGPMDMOJQOCRZ-UHFFFAOYSA-N
SMILES:
CCCCn1nnc2c1c(Br)cc(c2)C#N
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.017g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.141g/mol
Monoisotopic Mass:
278.017g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties