BMMCBZ2Md003
From Metabolomics.JP
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| + | {{Hierarchy|{{PAGENAME}}}} | ||
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{{Metabolite | {{Metabolite | ||
|SysName=3-Fluoro-benzoic acid | |SysName=3-Fluoro-benzoic acid | ||
| − | |Common Name=&&3-Fluorobenzoate&&3-Fluorobenzoic acid&& | + | |Common Name=&&3-Fluorobenzoate&&3-Fluorobenzoic acid&&3-Fluoro-benzoic acid&& |
|CAS=455-38-9 | |CAS=455-38-9 | ||
|KEGG=C02364 | |KEGG=C02364 | ||
}} | }} | ||
Latest revision as of 23:36, 3 February 2009
| Basic Metabolism Top (代謝トップ) |
Molecule Index (化合物索引) |
EC classes ( EC分類) |
Input New Data (新規入力) |
Upper classes : BM Basic Metabolites : BMMC mono- or assembled cycle 単、複合環 : BMMCBZ benzene ring ベンゼン環 : BMMCBZ2M with 2 substitutions (meta) (11 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 455-38-9 |
| KEGG | C02364 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2Md003.mol |
| 3-Fluorobenzoate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 3-Fluoro-benzoic acid |
| Common Name |
|
| Symbol | |
| Formula | C7H5FO2 |
| Exact Mass | 140.0273 |
| Average Mass | 140.1118 |
| SMILES | Fc(c1)cc(cc1)C(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
