| CAS Number | 55289-15-1 |
| Catalog Number | AG00I9V3(AGN-PC-0WAZ52) |
| Chemical Name | Methyl 6-bromo-3-hydroxy-2-methylbenzoate |
| IUPAC Name | methyl 6-bromo-3-hydroxy-2-methylbenzoate |
| InChI | InChI=1S/C9H9BrO3/c1-5-7(11)4-3-6(10)8(5)9(12)13-2/h3-4,11H,1-2H3 |
| InChI Key | HKSCERDOOWLXTJ-UHFFFAOYSA-N |
| MDL Number | MFCD16660005 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | BrC1=CC=C(C(=C1C(=O)OC)C)O |
| Synonyms | methyl 6-bromo-3-hydroxy-2-methylbenzoate,
55289-15-1,
SCHEMBL15814236,
HKSCERDOOWLXTJ-UHFFFAOYSA-N,
AKOS026674775,
ZINC169620350,
FCH1346929,
KS-0000247Z,
DA-42103,
OR310936,
FT-0754671,
CS-4328,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.072g/mol |
| Monoisotopic Mass | 243.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number