| CAS Number | 1508456-94-7 |
| Catalog Number | AG01ACM3 |
| Chemical Name | Ethyl 2-bromo-3-chloro-5-methylbenzoate |
| IUPAC Name | ethyl 2-bromo-3-chloro-5-methylbenzoate |
| InChI | InChI=1S/C10H10BrClO2/c1-3-14-10(13)7-4-6(2)5-8(12)9(7)11/h4-5H,3H2,1-2H3 |
| InChI Key | AHLDEJCTKZLEQQ-UHFFFAOYSA-N |
| MDL Number | MFCD24108610 |
| Molecular Formula | C10H10BrClO2 |
| Molecular Weight | 277.5422 |
| SMILES | CCOC(C1=C(Br)C(Cl)=CC(C)=C1)=O |
| Synonyms | ethyl 2-bromo-3-chloro-5-methylbenzoate,
1508456-94-7,
ZINC95829728,
AKOS020023535,
NE56797,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.542g/mol |
| Monoisotopic Mass | 275.955g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number