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610-30-0 | 2,4-DINITROBENZOIC ACID
CAS No: 610-30-0 Catalog No: AG003FUZ MDL No:MFCD00017006
Product Description
Catalog Number:
AG003FUZ
Chemical Name:
2,4-DINITROBENZOIC ACID
CAS Number:
610-30-0
Molecular Formula:
C7H4N2O6
Molecular Weight:
212.1165
MDL Number:
MFCD00017006
IUPAC Name:
2,4-dinitrobenzoic acid
InChI:
InChI=1S/C7H4N2O6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3H,(H,10,11)
InChI Key:
ZIIGSRYPZWDGBT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-]
EC Number:
210-219-5
NSC Number:
243713
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 |
|---|---|
| Characterization of a nitroreductase with selective nitroreduction properties in the food and intestinal lactic acid bacterium Lactobacillus plantarum WCFS1. | Journal of agricultural and food chemistry 20091111 |
| The NprA nitroreductase required for 2,4-dinitrophenol reduction in Rhodobacter capsulatus is a dihydropteridine reductase. | Environmental microbiology 20081101 |
| Temperature-dependent single-crystal neutron diffraction study of the strong OHN hydrogen bond in pyridinium 2,4-dinitrobenzoate. | The journal of physical chemistry. A 20081009 |
| Separation and determination of perfluorinated carboxylic acids using capillary zone electrophoresis with indirect photometric detection. | Journal of chromatography. A 20060922 |
| Investigation of the ionisation and fragmentation behaviour of different nitroaromatic compounds occurring as polar metabolites of explosives using electrospray ionisation tandem mass spectrometry. | Rapid communications in mass spectrometry : RCM 20060101 |
| Characterization of Rhodococcus wratislaviensis strain J3 that degrades 4-nitrocatechol and other nitroaromatic compounds. | Antonie van Leeuwenhoek 20050201 |
| Urinary metabolites of workers exposed to nitrotoluenes. | Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20050101 |
| Degradation of 5-nitroguaiacol by soil bacteria of the genus Rhodococcus. | Folia microbiologica 20040101 |
| Internucleotide-linkage formation via the phosphoramidite method using a carboxylic acid as a promoter. | Nucleic acids symposium series (2004) 20040101 |
| Exposure to nitroaromatic explosives and health effects during disposal of military waste. | Occupational and environmental medicine 20030701 |
| Conformation of N-methyl-4-piperidyl 2,4-dinitrobenzoate. | Acta crystallographica. Section C, Crystal structure communications 20030201 |
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