Home Nitriles 2-Bromo-3-methoxy-6-nitrobenzonitrile

2-Bromo-3-methoxy-6-nitrobenzonitrile

CAS No.:
1820706-38-4
Catalog Number:
AG00I0XZ
Molecular Formula:
C8H5BrN2O3
Molecular Weight:
257.0409
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
In Stock USA
United States
$75
- +
250mg
97%
In Stock USA
United States
$150
- +
1g
97%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00I0XZ
Chemical Name:
2-Bromo-3-methoxy-6-nitrobenzonitrile
CAS Number:
1820706-38-4
Molecular Formula:
C8H5BrN2O3
Molecular Weight:
257.0409
MDL Number:
MFCD26940374
IUPAC Name:
2-bromo-3-methoxy-6-nitrobenzonitrile
InChI:
InChI=1S/C8H5BrN2O3/c1-14-7-3-2-6(11(12)13)5(4-10)8(7)9/h2-3H,1H3
InChI Key:
XPQVKTXUIZKUCF-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)c(OC)ccc1[N+](=O)[O-]
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.948g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.043g/mol
Monoisotopic Mass:
255.948g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties