Home Nitriles 4-(Methylamino)-3-nitrobenzonitrile

4-(Methylamino)-3-nitrobenzonitrile

CAS No.:
64910-45-8
Catalog Number:
AG00EI6J
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$300
- +
25g
95%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG00EI6J
Chemical Name:
4-(Methylamino)-3-nitrobenzonitrile
CAS Number:
64910-45-8
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD03551829
IUPAC Name:
4-(methylamino)-3-nitrobenzonitrile
InChI:
InChI=1S/C8H7N3O2/c1-10-7-3-2-6(5-9)4-8(7)11(12)13/h2-4,10H,1H3
InChI Key:
KTWMUUHEGDUZCG-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1[N+](=O)[O-])C#N
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties