| CAS Number | 88174-27-0 |
| Catalog Number | AG004DSQ(AGN-PC-0NFN3M) |
| Chemical Name | Benzaldehyde, 3-bromo-2,4,6-trimethyl- |
| IUPAC Name | 3-bromo-2,4,6-trimethylbenzaldehyde |
| InChI | InChI=1S/C10H11BrO/c1-6-4-7(2)10(11)8(3)9(6)5-12/h4-5H,1-3H3 |
| InChI Key | GHWCNWQBTMHJKU-UHFFFAOYSA-N |
| MDL Number | MFCD30572266 |
| Molecular Formula | C10H11BrO |
| Molecular Weight | 227.0977 |
| SMILES | BrC=1C(=C(C=O)C(=CC1C)C)C |
| Synonyms | 3-Bromo-2,4,6-trimethylbenzaldehyde,
Benzaldehyde, 3-bromo-2,4,6-trimethyl-,
88174-27-0,
SCHEMBL19825897,
CTK3B6600,
DTXSID20454703,
AKOS022959693,
3-bromo-2,4,6-trimethyl-benzaldehyde,
CID11085510,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.101g/mol |
| Monoisotopic Mass | 225.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number