Home Nitriles 4-Bromo-2-cyanobenzeneacetonitrile

4-Bromo-2-cyanobenzeneacetonitrile

CAS No.:
925672-89-5
Catalog Number:
AG00IH79
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$213
- +
1g
95%
In Stock USA
United States
$525
- +
5g
95%
In Stock USA
United States
$1575
- +
Product Description
Catalog Number:
AG00IH79
Chemical Name:
4-Bromo-2-cyanobenzeneacetonitrile
CAS Number:
925672-89-5
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
MDL Number:
MFCD09999218
IUPAC Name:
5-bromo-2-(cyanomethyl)benzonitrile
InChI:
InChI=1S/C9H5BrN2/c10-9-2-1-7(3-4-11)8(5-9)6-12/h1-2,5H,3H2
InChI Key:
JFJQZQISHKWUQJ-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1C#N)Br
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.964g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.057g/mol
Monoisotopic Mass:
219.964g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties