Home Nitriles 3-Bromo-4-(methylamino)-5-nitrobenzonitrile

3-Bromo-4-(methylamino)-5-nitrobenzonitrile

CAS No.:
1420800-36-7
Catalog Number:
AG009X3M
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG009X3M
Chemical Name:
3-Bromo-4-(methylamino)-5-nitrobenzonitrile
CAS Number:
1420800-36-7
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
MDL Number:
MFCD22689128
IUPAC Name:
3-bromo-4-(methylamino)-5-nitrobenzonitrile
InChI:
InChI=1S/C8H6BrN3O2/c1-11-8-6(9)2-5(4-10)3-7(8)12(13)14/h2-3,11H,1H3
InChI Key:
QDQCZTLDQOWPIB-UHFFFAOYSA-N
SMILES:
CNc1c(Br)cc(cc1[N+](=O)[O-])C#N
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties