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

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

CAS No.:
1423037-16-4
Catalog Number:
AG009WXM
Molecular Formula:
C8H5BrN4
Molecular Weight:
237.0561
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG009WXM
Chemical Name:
7-Bromo-1-methyl-1,2,3-benzotriazole-5-carbonitrile
CAS Number:
1423037-16-4
Molecular Formula:
C8H5BrN4
Molecular Weight:
237.0561
MDL Number:
MFCD23135962
IUPAC Name:
7-bromo-1-methylbenzotriazole-5-carbonitrile
InChI:
InChI=1S/C8H5BrN4/c1-13-8-6(9)2-5(4-10)3-7(8)11-12-13/h2-3H,1H3
InChI Key:
CAFPOWQQJUJCIW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c2c(c1)nnn2C
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.97g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.06g/mol
Monoisotopic Mass:
235.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties