Home Halogens 5-Bromo-4-chloro-2-methoxybenzonitrile

5-Bromo-4-chloro-2-methoxybenzonitrile

CAS No.:
1239838-17-5
Catalog Number:
AG000LB2
Molecular Formula:
C8H5BrClNO
Molecular Weight:
246.4884
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG000LB2
Chemical Name:
5-Bromo-4-chloro-2-methoxybenzonitrile
CAS Number:
1239838-17-5
Molecular Formula:
C8H5BrClNO
Molecular Weight:
246.4884
MDL Number:
MFCD16873032
IUPAC Name:
5-bromo-4-chloro-2-methoxybenzonitrile
InChI:
InChI=1S/C8H5BrClNO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,1H3
InChI Key:
WGNXNQOFUQIOKQ-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(cc1C#N)Br
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.924g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.488g/mol
Monoisotopic Mass:
244.924g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties