sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 2-Bromobenzonitrile

2-Bromobenzonitrile

CAS No.:
2042-37-7
Catalog Number:
AG0029C7
Molecular Formula:
C7H4BrN
Molecular Weight:
182.0174
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG0029C7
Chemical Name:
2-Bromobenzonitrile
CAS Number:
2042-37-7
Molecular Formula:
C7H4BrN
Molecular Weight:
182.0174
MDL Number:
MFCD00001772
IUPAC Name:
2-bromobenzonitrile
InChI:
InChI=1S/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H
InChI Key:
AFMPMSCZPVNPEM-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1Br
EC Number:
218-045-1
NSC Number:
59730
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.953g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.02g/mol
Monoisotopic Mass:
180.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
o-Chloro- and o-bromobenzonitrile: pseudosymmetry and pseudo-isostructural packing. Acta crystallographica. Section C, Crystal structure communications 20070101
Bromine as the ortho-directing group in the aromatic metalation/silylation of substituted bromobenzenes. The Journal of organic chemistry 20031128
Supramolecular assembly and solution properties of bis(bipyridyl)ruthenium(II) coordination complexes of aryl(2-pyridyl)methanones. Inorganic chemistry 20030127
Properties