Home Nitriles 4-Bromoisophthalonitrile

4-Bromoisophthalonitrile

CAS No.:
22433-89-2
Catalog Number:
AG0038VI
Molecular Formula:
C8H3BrN2
Molecular Weight:
207.0268
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$525
- +
5g
95%
In Stock USA
United States
$2400
- +
Product Description
Catalog Number:
AG0038VI
Chemical Name:
4-Bromoisophthalonitrile
CAS Number:
22433-89-2
Molecular Formula:
C8H3BrN2
Molecular Weight:
207.0268
MDL Number:
MFCD00234370
IUPAC Name:
4-bromobenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8H3BrN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H
InChI Key:
WQMGDEDMARMXQE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C#N)Br
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.948g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.03g/mol
Monoisotopic Mass:
205.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties