| CAS Number | 62123-80-2 |
| Catalog Number | AG00EELS(AGN-PC-0T33PO) |
| Chemical Name | ETHYL 3-BROMOBENZOYL FORMATE |
| IUPAC Name | ethyl 2-(3-bromophenyl)-2-oxoacetate |
| InChI | InChI=1S/C10H9BrO3/c1-2-14-10(13)9(12)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3 |
| InChI Key | SVPWKTIUMGLHFL-UHFFFAOYSA-N |
| MDL Number | MFCD07698676 |
| Molecular Formula | C10H9BrO3 |
| Molecular Weight | 257.0807 |
| SMILES | O=C(OCC)C(C1=CC=CC(Br)=C1)=O |
| Synonyms | Ethyl 3-bromobenzoyl formate,
ethyl 2-(3-bromophenyl)-2-oxoacetate,
62123-80-2,
SCHEMBL2006360,
DTXSID50482539,
SVPWKTIUMGLHFL-UHFFFAOYSA-N,
ethyl (3-bromophenyl)(oxo)acetate,
MFCD07698676,
ZINC39191298,
AKOS016016980,
AJ-98932,
BBV-40259380,
3-Bromo-oxo-benzeneacetic acid ethyl ester,
AX8166764,
FT-0770340,
(3-Bromo-phenyl)-oxo-acetic acid ethyl ester,
J3.614.844F,
Z-1954,
2-(3-Bromophenyl)-2-oxoacetic acid ethyl ester,
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| 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