| CAS Number | 1536222-27-1 |
| Catalog Number | AG01C0IH |
| Chemical Name | methyl 3-bromo-5-(methoxymethyl)benzoate |
| IUPAC Name | methyl 3-bromo-5-(methoxymethyl)benzoate |
| InChI | InChI=1S/C10H11BrO3/c1-13-6-7-3-8(10(12)14-2)5-9(11)4-7/h3-5H,6H2,1-2H3 |
| InChI Key | JACMPGATCDNDAD-UHFFFAOYSA-N |
| MDL Number | MFCD24107081 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | COCC1=CC(C(OC)=O)=CC(Br)=C1 |
| Synonyms | methyl 3-bromo-5-(methoxymethyl)benzoate,
1536222-27-1,
AKOS020008954,
ZINC160777731,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number