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Home > Nitro Compounds > 7403-38-5
7403-38-5 | N-benzyl-2,4-dinitroaniline
CAS No: 7403-38-5 Catalog No: AG00FEBK MDL No:MFCD00179575
Product Description
Catalog Number:
AG00FEBK
Chemical Name:
N-benzyl-2,4-dinitroaniline
CAS Number:
7403-38-5
Molecular Formula:
C13H11N3O4
Molecular Weight:
273.2441
MDL Number:
MFCD00179575
IUPAC Name:
N-benzyl-2,4-dinitroaniline
InChI:
InChI=1S/C13H11N3O4/c17-15(18)11-6-7-12(13(8-11)16(19)20)14-9-10-4-2-1-3-5-10/h1-8,14H,9H2
InChI Key:
RJFWSYMASYLDLB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NCc1ccccc1)[N+](=O)[O-]
NSC Number:
404032
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.248g/mol
Monoisotopic Mass:
273.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and evaluation of thiol-activated sources of sulfur dioxide (SO₂) as antimycobacterial agents. | Journal of medicinal chemistry 20120112 |
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