| CAS Number | 1798747-99-5 |
| Catalog Number | AG01BE8O |
| Chemical Name | Methyl 4-bromo-3-hydroxy-2-(prop-2-en-1-yl)benzoate |
| IUPAC Name | methyl 4-bromo-3-hydroxy-2-prop-2-enylbenzoate |
| InChI | InChI=1S/C11H11BrO3/c1-3-4-7-8(11(14)15-2)5-6-9(12)10(7)13/h3,5-6,13H,1,4H2,2H3 |
| InChI Key | ZMUGKMBBGAFSAJ-UHFFFAOYSA-N |
| MDL Number | MFCD28118314 |
| Molecular Formula | C11H11BrO3 |
| Molecular Weight | 271.1072 |
| SMILES | COC(C1=C(CC=C)C(O)=C(Br)C=C1)=O |
| Synonyms | methyl 4-bromo-3-hydroxy-2-(prop-2-en-1-yl)benzoate,
1798747-99-5,
ZINC98095592,
AKOS033648972,
EN300-180763,
Z1889902539,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.11g/mol |
| Monoisotopic Mass | 269.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number