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Home > Nitro Compounds > 89399-22-4

89399-22-4

89399-22-4 | Benzamide, 4-nitro-N-(2-phenylpropyl)-

CAS No: 89399-22-4 Catalog No: AG003W9A MDL No:

Product Description

Catalog Number:
AG003W9A
Chemical Name:
Benzamide, 4-nitro-N-(2-phenylpropyl)-
CAS Number:
89399-22-4
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
4-nitro-N-(2-phenylpropyl)benzamide
InChI:
InChI=1S/C16H16N2O3/c1-12(13-5-3-2-4-6-13)11-17-16(19)14-7-9-15(10-8-14)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)
InChI Key:
GHDHBDATSMEEHG-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)CNC(=O)c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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