| CAS Number | 4815-97-8 |
| Catalog Number | AG01CA3T(AGN-PC-00KXR3) |
| Chemical Name | 2-bromo-3,4-dihydroxybenzaldehyde |
| IUPAC Name | 2-bromo-3,4-dihydroxybenzaldehyde |
| InChI | InChI=1S/C7H5BrO3/c8-6-4(3-9)1-2-5(10)7(6)11/h1-3,10-11H |
| InChI Key | QVOCITAVBWSYRN-UHFFFAOYSA-N |
| MDL Number | MFCD24714545 |
| Molecular Formula | C7H5BrO3 |
| Molecular Weight | 217.0168 |
| SMILES | O=CC1=CC=C(O)C(O)=C1Br |
| Synonyms | 2-Bromo-3,4-dihydroxybenzaldehyde,
4815-97-8,
2-bromo-3,4-dihydroxy-benzaldehyde,
SCHEMBL1982562,
QVOCITAVBWSYRN-UHFFFAOYSA-N,
2-bromo-3,4-dihydroxyl benzaldehyde,
ZINC39398257,
AKOS022652342,
FCH2035338,
AX8270407,
|
| 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 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number