| CAS Number | 65678-06-0 |
| Catalog Number | AG019F18(AGN-PC-002QHL) |
| Chemical Name | 3-bromo-5-tert-butyl-4-hydroxybenzaldehyde |
| IUPAC Name | 3-bromo-5-tert-butyl-4-hydroxybenzaldehyde |
| InChI | InChI=1S/C11H13BrO2/c1-11(2,3)8-4-7(6-13)5-9(12)10(8)14/h4-6,14H,1-3H3 |
| InChI Key | KMZBIKFXFGEUCP-UHFFFAOYSA-N |
| MDL Number | MFCD31652800 |
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 257.1237 |
| SMILES | CC(C1=C(O)C(Br)=CC(C=O)=C1)(C)C |
| Synonyms | 3-bromo-5-(tert-butyl)-4-hydroxybenzaldehyde,
3-bromo-5-tert-butyl-4-hydroxybenzaldehyde,
65678-06-0,
SCHEMBL5376916,
KMZBIKFXFGEUCP-UHFFFAOYSA-N,
CS-0059770,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.127g/mol |
| Monoisotopic Mass | 256.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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