| CAS Number | 1427373-22-5 |
| Catalog Number | AG019EX4 |
| Chemical Name | 4-bromo-2-hydroxy-5-methylbenzaldehyde |
| IUPAC Name | 4-bromo-2-hydroxy-5-methylbenzaldehyde |
| InChI | InChI=1S/C8H7BrO2/c1-5-2-6(4-10)8(11)3-7(5)9/h2-4,11H,1H3 |
| InChI Key | JFXHVNHTPWAUKF-UHFFFAOYSA-N |
| MDL Number | MFCD23705509 |
| Molecular Formula | C8H7BrO2 |
| Molecular Weight | 215.0440 |
| SMILES | O=CC1=CC(C)=C(Br)C=C1O |
| Synonyms | 4-bromo-2-hydroxy-5-methylbenzaldehyde,
1427373-22-5,
MFCD23705509,
4-Bromo-2-hydroxy-?5-methylbenzaldehyde,
CS-0061166,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.046g/mol |
| Monoisotopic Mass | 213.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number