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610-28-6 | 2,5-Dinitrobenzoic acid
CAS No: 610-28-6 Catalog No: AG003G0B MDL No:MFCD00024256
Product Description
Catalog Number:
AG003G0B
Chemical Name:
2,5-Dinitrobenzoic acid
CAS Number:
610-28-6
MDL Number:
MFCD00024256
IUPAC Name:
2,5-dinitrobenzoic acid
InChI:
InChI=1S/C7H4N2O6/c10-7(11)5-3-4(8(12)13)1-2-6(5)9(14)15/h1-3H,(H,10,11)
InChI Key:
YKMDNKRCCODWMG-UHFFFAOYSA-N
EC Number:
210-216-9
NSC Number:
3810
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:
1.3
Literature
| Title | Journal |
|---|---|
| 2-Amino-5-nitro-benzoic acid. | Acta crystallographica. Section E, Structure reports online 20120201 |
| Application of Schrödinger equation to study the tunnelling dynamics of proton transfer in the hydrogen bond of 2,5-dinitrobenzoic acid: proton T1 T1rho, and deuteron T1 relaxation methods. | The journal of physical chemistry. A 20070222 |
| Oxidation of TNT by photo-Fenton process. | Chemosphere 20041201 |
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