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Home Nitriles 3-Nitro-4-(propylamino)benzonitrile

3-Nitro-4-(propylamino)benzonitrile

CAS No.:
438554-06-4
Catalog Number:
AG0072WB
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$225
- +
10g
95%
In Stock USA
United States
$350
- +
25g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0072WB
Chemical Name:
3-Nitro-4-(propylamino)benzonitrile
CAS Number:
438554-06-4
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD12188574
IUPAC Name:
3-nitro-4-(propylamino)benzonitrile
InChI:
InChI=1S/C10H11N3O2/c1-2-5-12-9-4-3-8(7-11)6-10(9)13(14)15/h3-4,6,12H,2,5H2,1H3
InChI Key:
YPYRGACIMFEUCM-UHFFFAOYSA-N
SMILES:
CCCNc1ccc(cc1[N+](=O)[O-])C#N
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
3-Nitro-4-(propyl-amino)-benzonitrile. Acta crystallographica. Section E, Structure reports online 20111201
Properties