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Home Nitriles 4-(Isopropylamino)-3-nitrobenzonitrile

4-(Isopropylamino)-3-nitrobenzonitrile

CAS No.:
355022-17-2
Catalog Number:
AG007AVI
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$188
- +
10g
98%
In Stock USA
United States
$347
- +
25g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG007AVI
Chemical Name:
4-(Isopropylamino)-3-nitrobenzonitrile
CAS Number:
355022-17-2
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD02093833
IUPAC Name:
3-nitro-4-(propan-2-ylamino)benzonitrile
InChI:
InChI=1S/C10H11N3O2/c1-7(2)12-9-4-3-8(6-11)5-10(9)13(14)15/h3-5,7,12H,1-2H3
InChI Key:
UMTOOOMUGFVLDX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])NC(C)C
Properties
Complexity:
276  
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:
2  
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
4-Isopropyl-amino-3-nitro-benzonitrile. Acta crystallographica. Section E, Structure reports online 20120101
Properties