Home Nitriles 7-Bromo-2,1,3-benzothiadiazole-4-carbonitrile

7-Bromo-2,1,3-benzothiadiazole-4-carbonitrile

CAS No.:
1331742-86-9
Catalog Number:
AG009XR5
Molecular Formula:
C7H2BrN3S
Molecular Weight:
240.0799
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$225
- +
1g
98%
In Stock USA
United States
$563
- +
5g
98%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG009XR5
Chemical Name:
7-Bromo-2,1,3-benzothiadiazole-4-carbonitrile
CAS Number:
1331742-86-9
Molecular Formula:
C7H2BrN3S
Molecular Weight:
240.0799
MDL Number:
MFCD28966927
IUPAC Name:
4-bromo-2,1,3-benzothiadiazole-7-carbonitrile
InChI:
InChI=1S/C7H2BrN3S/c8-5-2-1-4(3-9)6-7(5)11-12-10-6/h1-2H
InChI Key:
ORLZWSSVSNUQAZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1nsn2)Br
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.915g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.078g/mol
Monoisotopic Mass:
238.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties