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Home Nitros 4-Acetamido-3-nitrobenzoic acid

4-Acetamido-3-nitrobenzoic acid

CAS No.:
1539-06-6
Catalog Number:
AG003KM3
Molecular Formula:
C9H8N2O5
Molecular Weight:
224.1702
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$28
- +
5g
95%
In Stock USA
United States
$54
- +
25g
95%
In Stock USA
United States
$158
- +
100g
95%
In Stock USA
United States
$476
- +
Product Description
Catalog Number:
AG003KM3
Chemical Name:
4-Acetamido-3-nitrobenzoic acid
CAS Number:
1539-06-6
Molecular Formula:
C9H8N2O5
Molecular Weight:
224.1702
MDL Number:
MFCD00014703
IUPAC Name:
4-acetamido-3-nitrobenzoic acid
InChI:
InChI=1S/C9H8N2O5/c1-5(12)10-7-3-2-6(9(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)
InChI Key:
BRQIMWBIZLRLSV-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1[N+](=O)[O-])C(=O)O
EC Number:
216-265-2
UNII:
9W2250FZKC
NSC Number:
190738
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.043g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
224.172g/mol
Monoisotopic Mass:
224.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design. Journal of medicinal chemistry 19971205
Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction. Journal of medicinal chemistry 19950818
Properties