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Basic Description
| Synonyms | AKOS000291414 | STK394288 | 2-(5-(2-Chlorophenyl)-2H-tetrazol-2-yl)acetic acid | [5-(2-Chloro-phenyl)-tetrazol-2-yl]-acetic acid | [5-(2-chlorophenyl)tetrazol-2-yl]acetic acid | MFCD01029788 | BIM-0026360.P001 | LS-02060 | 2-[5-(2-chlorophenyl)-2H-1,2,3,4 |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at 2-8°C,Protected from light |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
- Subclass Tetrazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Tetrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyltetrazoles and derivatives |
| Alternative Parents | Alpha amino acids and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyltetrazole - Alpha-amino acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488191158 |
|---|---|
| IUPAC Name | 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetic acid |
| INCHI | InChI=1S/C9H7ClN4O2/c10-7-4-2-1-3-6(7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16) |
| InChIKey | XTEQROKRTGIKDV-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C(=C1)C2=NN(N=N2)CC(=O)O)Cl |
| Isomeric SMILES | C1=CC=C(C(=C1)C2=NN(N=N2)CC(=O)O)Cl |
| PubChem CID | 692366 |
| Molecular Weight | 238.63 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2519082 |
Certificate of Analysis | Feb 07, 2023 | C356560 |
| D2303703 |
Certificate of Analysis | Feb 07, 2023 | C356560 |
| D2303670 |
Certificate of Analysis | Feb 07, 2023 | C356560 |
| D2303661 |
Certificate of Analysis | Feb 07, 2023 | C356560 |
| D2303666 |
Certificate of Analysis | Feb 07, 2023 | C356560 |
| D2303677 |
Certificate of Analysis | Feb 07, 2023 | C356560 |
| D2303665 |
Certificate of Analysis | Feb 07, 2023 | C356560 |
Chemical and Physical Properties
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 238.630 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 238.026 Da |
| Monoisotopic Mass | 238.026 Da |
| Topological Polar Surface Area | 80.900 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 266.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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