Home Nitriles 2-Amino-3-nitrobenzonitrile

2-Amino-3-nitrobenzonitrile

CAS No.:
87331-46-2
Catalog Number:
AG00IEHC
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$119
- +
5g
98%
In Stock USA
United States
$475
- +
25g
98%
In Stock USA
United States
$1663
- +
Product Description
Catalog Number:
AG00IEHC
Chemical Name:
2-Amino-3-nitrobenzonitrile
CAS Number:
87331-46-2
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD18389917
IUPAC Name:
2-amino-3-nitrobenzonitrile
InChI:
InChI=1S/C7H5N3O2/c8-4-5-2-1-3-6(7(5)9)10(11)12/h1-3H,9H2
InChI Key:
YWLQSBPRLUBYOR-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1N)[N+](=O)[O-]
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties