| CAS Number | 1780038-16-5 |
| Catalog Number | AG01DYVV |
| Chemical Name | 2-bromo-3-methoxy-6-methylbenzaldehyde |
| IUPAC Name | 2-bromo-3-methoxy-6-methylbenzaldehyde |
| InChI | InChI=1S/C9H9BrO2/c1-6-3-4-8(12-2)9(10)7(6)5-11/h3-5H,1-2H3 |
| InChI Key | ZKJZDXDLMOOGDO-UHFFFAOYSA-N |
| MDL Number | MFCD28533287 |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.0706 |
| SMILES | COC1=C(Br)C(C=O)=C(C)C=C1 |
| Synonyms | 2-bromo-3-methoxy-6-methylbenzaldehyde,
1780038-16-5,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.073g/mol |
| Monoisotopic Mass | 227.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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