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3-Bromo-2-fluorobenzamide - 97%, high purity , CAS No.871353-25-2
Basic Description
| Synonyms | 3-Bromo-2-fluorobenzamide | 871353-25-2 | Benzamide, 3-bromo-2-fluoro- | SCHEMBL145431 | DTXSID00657871 | UWTBFBQQCCZYBF-UHFFFAOYSA-N | MFCD12913463 | AKOS023098418 | AS-58599 | CS-0107664 | A862777 | Z1269172585 |
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| Specifications & Purity | ≥97% |
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| Storage Temp | Room temperature |
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| Shipped In | Normal |
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Names and Identifiers
| IUPAC Name | 3-bromo-2-fluorobenzamide |
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| INCHI | InChI=1S/C7H5BrFNO/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H2,10,11) |
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| InChi Key | UWTBFBQQCCZYBF-UHFFFAOYSA-N |
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| Canonical SMILES | C1=CC(=C(C(=C1)Br)F)C(=O)N |
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| Isomeric SMILES | C1=CC(=C(C(=C1)Br)F)C(=O)N |
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| Molecular Weight | 218 |
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| Reaxy-Rn | 14491217 |
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| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14491217&ln= |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 218.020 g/mol |
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| XLogP3 | 1.600 |
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| Hydrogen Bond Donor Count | 1 |
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| Hydrogen Bond Acceptor Count | 2 |
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| Rotatable Bond Count | 1 |
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| Exact Mass | 216.954 Da |
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| Monoisotopic Mass | 216.954 Da |
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| Topological Polar Surface Area | 43.100 Ų |
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| Heavy Atom Count | 11 |
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| Formal Charge | 0 |
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| Complexity | 165.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 0 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
| Reaxy-Rn | 14491217 |
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| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14491217&ln= |
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