| CAS Number | 923281-67-8 |
| Catalog Number | AG018S1X(AGN-PC-0GDUZW) |
| Chemical Name | 5-Bromo-2-methoxy-4-methylbenzaldehyde |
| IUPAC Name | 5-bromo-2-methoxy-4-methylbenzaldehyde |
| InChI | InChI=1S/C9H9BrO2/c1-6-3-9(12-2)7(5-11)4-8(6)10/h3-5H,1-2H3 |
| InChI Key | XPPKFEJWOOFGIK-UHFFFAOYSA-N |
| MDL Number | MFCD21234728 |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.0706 |
| SMILES | COC1=C(C=O)C=C(Br)C(C)=C1 |
| Synonyms | 5-bromo-2-methoxy-4-methylbenzaldehyde,
923281-67-8,
Benzaldehyde, 5-bromo-2-methoxy-4-methyl-,
SCHEMBL4599824,
CTK3F9248,
DTXSID30734886,
XPPKFEJWOOFGIK-UHFFFAOYSA-N,
MFCD21234728,
ZINC83825901,
AKOS014777765,
5-Bromo-2-methoxy-4-methyl-benzaldehyde,
F8884-0496,
|
| 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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