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Home Nitros 3,4-Dinitrobenzoic acid

3,4-Dinitrobenzoic acid

CAS No.:
528-45-0
Catalog Number:
AG003IIZ
Molecular Formula:
C7H4N2O6
Molecular Weight:
212.1165
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$225
- +
100g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG003IIZ
Chemical Name:
3,4-Dinitrobenzoic acid
CAS Number:
528-45-0
Molecular Formula:
C7H4N2O6
Molecular Weight:
212.1165
MDL Number:
MFCD00007255
IUPAC Name:
3,4-dinitrobenzoic acid
InChI:
InChI=1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)
InChI Key:
OMVRRHJJQILIJX-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cc(ccc1N(=O)=O)C(=O)O
EC Number:
208-433-9
UNII:
0L3N4T0GPD
NSC Number:
60713
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.007g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.117g/mol
Monoisotopic Mass:
212.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
High-Z' and twinning behavior in 3,4-dinitrobenzoic acid. Acta crystallographica. Section C, Crystal structure communications 20111001
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Modular approach toward supramolecular functional assemblies: characterization of Donor-spacer-acceptor ternary complexes. The journal of physical chemistry. A 20050714
Properties