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63981-16-8

63981-16-8 | N-(2,5-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide

CAS No: 63981-16-8 Catalog No: AG00F6KC MDL No:

Product Description

Catalog Number:
AG00F6KC
Chemical Name:
N-(2,5-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CAS Number:
63981-16-8
IUPAC Name:
N-(2,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
InChI:
InChI=1S/C15H14N2O4/c1-9-6-7-10(2)12(8-9)16-15(19)11-4-3-5-13(14(11)18)17(20)21/h3-8,18H,1-2H3,(H,16,19)
InChI Key:
ZHSZKAUBTWMIHX-UHFFFAOYSA-N
NSC Number:
82029

Properties

Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Literature

Title Journal
Discovery of potent thermolysin inhibitors using structure based virtual screening and binding assays. Journal of medicinal chemistry 20090108

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