| CAS Number | 1210047-30-5 |
| Catalog Number | AG01FF08(AGN-PC-3H4A3O) |
| Chemical Name | Ethyl 2-bromo-5-methylbenzoate |
| IUPAC Name | ethyl 2-bromo-5-methylbenzoate |
| InChI | InChI=1S/C10H11BrO2/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6H,3H2,1-2H3 |
| InChI Key | NZBKEVGEFGDOBZ-UHFFFAOYSA-N |
| MDL Number | MFCD08059174 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | c1(c(cc(cc1)C)C(=O)OCC)Br |
| Synonyms | ethyl 2-bromo-5-methylbenzoate,
1210047-30-5,
SCHEMBL1814266,
NZBKEVGEFGDOBZ-UHFFFAOYSA-N,
AKOS017559134,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.1g/mol |
| Monoisotopic Mass | 241.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number