Home Nitriles 5-(Bromomethyl)-2-nitrobenzonitrile

5-(Bromomethyl)-2-nitrobenzonitrile

CAS No.:
227016-67-3
Catalog Number:
AG00I4GY
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$563
- +
5g
95%
In Stock USA
United States
$1688
- +
Product Description
Catalog Number:
AG00I4GY
Chemical Name:
5-(Bromomethyl)-2-nitrobenzonitrile
CAS Number:
227016-67-3
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD18392147
IUPAC Name:
5-(bromomethyl)-2-nitrobenzonitrile
InChI:
InChI=1S/C8H5BrN2O2/c9-4-6-1-2-8(11(12)13)7(3-6)5-10/h1-3H,4H2
InChI Key:
RWDUSMOYLGEMCJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(CBr)ccc1[N+](=O)[O-]
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties