| CAS Number | 568595-13-1 |
| Catalog Number | AG00IA55(AGN-PC-0OCG8M) |
| Chemical Name | (2E)-3-(4-Bromo-2-fluorophenyl)prop-2-enamide |
| IUPAC Name | 3-(4-bromo-2-fluorophenyl)prop-2-enamide |
| InChI | InChI=1S/C9H7BrFNO/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H2,12,13) |
| InChI Key | SCDLSFGVHUZTAE-UHFFFAOYSA-N |
| MDL Number | MFCD09910885 |
| Molecular Formula | C9H7BrFNO |
| Molecular Weight | 244.0604 |
| SMILES | NC(=O)/C=C/c1ccc(cc1F)Br |
| Synonyms | 568595-13-1,
(2E)-3-(4-Bromo-2-fluorophenyl)prop-2-enamide,
SCHEMBL7480804,
2-Propenamide, 3-(4-bromo-2-fluorophenyl)-, (2E)-,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.063g/mol |
| Monoisotopic Mass | 242.97g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2 |
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Certificate of Analysis
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