| CAS Number | 50772-79-7 |
| Catalog Number | AG01B8AR(AGN-PC-078IGZ) |
| Chemical Name | Methyl 3-bromo-4,5-dimethoxybenzoate |
| IUPAC Name | methyl 3-bromo-4,5-dimethoxybenzoate |
| InChI | InChI=1S/C10H11BrO4/c1-13-8-5-6(10(12)15-3)4-7(11)9(8)14-2/h4-5H,1-3H3 |
| InChI Key | DADVORCKTZOFMJ-UHFFFAOYSA-N |
| MDL Number | MFCD06203834 |
| Molecular Formula | C10H11BrO4 |
| Molecular Weight | 275.0959 |
| SMILES | COC1=C(C(=CC(=C1)C(=O)OC)Br)OC |
| Synonyms | methyl 3-bromo-4,5-dimethoxybenzoate,
50772-79-7,
ZINC13379436,
AKOS017560687,
FT-0757924,
3-Bromo-4,5-dimethoxybenzoic acid methyl ester,
Z1998636552,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.098g/mol |
| Monoisotopic Mass | 273.984g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number