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Ethyl (2E)-3-(4-bromo-2-nitrophenyl)prop-2-enoate - 98%, high purity , CAS No.1094851-38-3
Basic Description
| Specifications & Purity | ≥98% |
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| Storage Temp | Room temperature |
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| Shipped In | Normal |
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Names and Identifiers
| IUPAC Name | ethyl (E)-3-(4-bromo-2-nitrophenyl)prop-2-enoate |
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| INCHI | InChI=1S/C11H10BrNO4/c1-2-17-11(14)6-4-8-3-5-9(12)7-10(8)13(15)16/h3-7H,2H2,1H3/b6-4+ |
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| InChi Key | XRTBTPDPXPXTDW-GQCTYLIASA-N |
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| Canonical SMILES | CCOC(=O)C=CC1=C(C=C(C=C1)Br)[N+](=O)[O-] |
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| Isomeric SMILES | CCOC(=O)/C=C/C1=C(C=C(C=C1)Br)[N+](=O)[O-] |
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| PubChem CID | 44541144 |
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| Molecular Weight | 300.1 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 300.100 g/mol |
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| XLogP3 | 3.100 |
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| Hydrogen Bond Donor Count | 0 |
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| Hydrogen Bond Acceptor Count | 4 |
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| Rotatable Bond Count | 4 |
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| Exact Mass | 298.979 Da |
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| Monoisotopic Mass | 298.979 Da |
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| Topological Polar Surface Area | 72.100 Ų |
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| Heavy Atom Count | 17 |
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| Formal Charge | 0 |
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| Complexity | 313.000 |
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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 | 1 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 1 |
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| Covalently-Bonded Unit Count | 1 |
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