| CAS Number | 33851-45-5 |
| Catalog Number | AG019LE1(AGN-PC-0045E3) |
| Chemical Name | 3-Bromo-2,5-dihydroxybenzaldehyde |
| IUPAC Name | 3-bromo-2,5-dihydroxybenzaldehyde |
| InChI | InChI=1S/C7H5BrO3/c8-6-2-5(10)1-4(3-9)7(6)11/h1-3,10-11H |
| InChI Key | WKZWBCVHXZRSHP-UHFFFAOYSA-N |
| MDL Number | MFCD09971371 |
| Molecular Formula | C7H5BrO3 |
| Molecular Weight | 217.0168 |
| SMILES | OC1=CC(C=O)=C(O)C(Br)=C1 |
| Synonyms | 3-bromo-2,5-dihydroxybenzaldehyde,
33851-45-5,
AC1Q78KI,
SCHEMBL9189245,
CTK7H9004,
ZINC20281836,
AKOS030700008,
MCULE-1360763075,
NE27921,
EN300-30919,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.018g/mol |
| Monoisotopic Mass | 215.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number