| CAS Number | 62123-82-4 |
| Catalog Number | AG00IAZC(AGN-PC-0T33QG) |
| Chemical Name | Ethyl 2-(2-bromophenyl)-2-oxoacetate |
| IUPAC Name | ethyl 2-(2-bromophenyl)-2-oxoacetate |
| InChI | InChI=1S/C10H9BrO3/c1-2-14-10(13)9(12)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3 |
| InChI Key | ODUHAMLUWOLQKF-UHFFFAOYSA-N |
| MDL Number | MFCD22552906 |
| Molecular Formula | C10H9BrO3 |
| Molecular Weight | 257.0807 |
| SMILES | BrC1=C(C=CC=C1)C(C(=O)OCC)=O |
| Synonyms | Ethyl 2-(2-bromophenyl)-2-oxoacetate,
62123-82-4,
SCHEMBL16039556,
DTXSID60482540,
ODUHAMLUWOLQKF-UHFFFAOYSA-N,
MFCD22552906,
ZINC95929589,
2-Bromo-oxo-benzeneacetic acid ethyl ester,
AJ-135574,
AX8282946,
J3.614.843H,
2-(2-Bromophenyl)-2-oxoacetic acid ethyl ester,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.083g/mol |
| Monoisotopic Mass | 255.974g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number