1. Primary Information
| English name: | 4-Bromocrotonic acid |
| CAS No.: | 13991-36-1 |
| Molecular formula: | C4H5BRO2 |
| Molecular weight: | 164.99 g/mol |
| SMILES: | C(C=CC(=O)O)Br |
| Structural class: | |
| Other identifiers: |
4-bromocrotonic acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | 98% | 88 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 216 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 752 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 99%(GC) | 88 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 99%(GC) | 216 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 99%(GC) | 752 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(E)-4-bromobut-2-enoic acid
4.2 InChI
InChI=1S/C4H5BrO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+
4.3 InChIKey
DOTGZROJTAUYFQ-OWOJBTEDSA-N
4.4 Canonical SMILES
C(C=CC(=O)O)Br
4.5 Isomeric SMILES
C(/C=C/C(=O)O)Br
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
