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Home > Nitro Compounds > 121-92-6
121-92-6 | 3-Nitrobenzoic acid
CAS No: 121-92-6 Catalog No: AG003JT6 MDL No:MFCD00007251
Product Description
Catalog Number:
AG003JT6
Chemical Name:
3-Nitrobenzoic acid
CAS Number:
121-92-6
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
MDL Number:
MFCD00007251
IUPAC Name:
3-nitrobenzoic acid
InChI:
InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
InChI Key:
AFPHTEQTJZKQAQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)[N+](=O)[O-]
EC Number:
204-508-5
UNII:
H318ZW7612
NSC Number:
9801
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.12g/mol
Monoisotopic Mass:
167.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
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|---|---|
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| Bis(3-hydroxy-pyridine-κN)bis-(3-nitro-benzoato-κO)zinc(II). | Acta crystallographica. Section E, Structure reports online 20090801 |
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| Microwave photocatalytic degradation of Rhodamine B using TiO2 supported on activated carbon: mechanism implication. | Journal of environmental sciences (China) 20090101 |
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| Effect of long-term exposure, biogenic substrate presence, and electron acceptor conditions on the biodegradation of multiple substituted benzoates and phenolates. | Water research 20050901 |
| Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk). | Journal of medicinal chemistry 20050505 |
| Short synthesis of skeleton-modified cyclodextrin derivatives with unique inclusion ability. | The Journal of organic chemistry 20050218 |
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