| CAS Number | 2007917-02-2 |
| Catalog Number | AG01EFN9 |
| Chemical Name | 6-Bromo-N-methoxy-N-methylchroman-2-carboxamide |
| IUPAC Name | 6-bromo-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide |
| InChI | InChI=1S/C12H14BrNO3/c1-14(16-2)12(15)11-5-3-8-7-9(13)4-6-10(8)17-11/h4,6-7,11H,3,5H2,1-2H3 |
| InChI Key | RLSWFVRUVPDQFF-UHFFFAOYSA-N |
| MDL Number | MFCD30472056 |
| Molecular Formula | C12H14BrNO3 |
| Molecular Weight | 300.1485 |
| SMILES | CON(C)C(=O)C1CCc2cc(Br)ccc2O1 |
| Synonyms | 6-Bromo-N-methoxy-n-methylchroman-2-carboxamide,
2007917-02-2,
MFCD30472056,
AKOS030628336,
CS-0039384,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.152g/mol |
| Monoisotopic Mass | 299.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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