| CAS Number | 58733-41-8 |
| Catalog Number | AG01FEYM(AGN-PC-06PFH3) |
| Chemical Name | 2-Bromo-5-methoxy-benzoic acid ethyl ester |
| IUPAC Name | ethyl 2-bromo-5-methoxybenzoate |
| InChI | InChI=1S/C10H11BrO3/c1-3-14-10(12)8-6-7(13-2)4-5-9(8)11/h4-6H,3H2,1-2H3 |
| InChI Key | FPBWUXGHDYGRLL-UHFFFAOYSA-N |
| MDL Number | MFCD06204943 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | CCOC(=O)c1cc(OC)ccc1Br |
| Synonyms | ETHYL 2-BROMO-5-METHOXYBENZOATE,
58733-41-8,
2-BROMO-5-METHOXYBENZOIC ACID ETHYL ESTER,
SCHEMBL4882699,
FPBWUXGHDYGRLL-UHFFFAOYSA-N,
AKOS008949273,
MB03702,
2-bromo-5-methoxy-benzoic acid ethyl ester,
FT-0730493,
BENZOIC ACID, 2-BROMO-5-METHOXY-, ETHYL ESTER,
|
| 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 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number