Home Nitriles 3-[(2-nitrophenyl)amino]propanenitrile

3-[(2-nitrophenyl)amino]propanenitrile

CAS No.:
33141-24-1
Catalog Number:
AG01AAIZ
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
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Product Description
Catalog Number:
AG01AAIZ
Chemical Name:
3-[(2-nitrophenyl)amino]propanenitrile
CAS Number:
33141-24-1
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD11043170
IUPAC Name:
3-(2-nitroanilino)propanenitrile
InChI:
InChI=1S/C9H9N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,7H2
InChI Key:
ZQKFBSKOWZERDS-UHFFFAOYSA-N
SMILES:
N#CCCNc1ccccc1[N+](=O)[O-]
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties