| CAS Number | 113264-43-0 |
| Catalog Number | AG0039T8(AGN-PC-002DWQ) |
| Chemical Name | ethyl 3-bromo-2-oxopentanoate |
| IUPAC Name | ethyl 3-bromo-2-oxopentanoate |
| InChI | InChI=1S/C7H11BrO3/c1-3-5(8)6(9)7(10)11-4-2/h5H,3-4H2,1-2H3 |
| InChI Key | NLBXGRQESZKPTO-UHFFFAOYSA-N |
| MDL Number | MFCD14706045 |
| Molecular Formula | C7H11BrO3 |
| Molecular Weight | 223.0644 |
| SMILES | BrC(C(C(=O)OCC)=O)CC |
| Synonyms | Ethyl 3-bromo-2-oxopentanoate,
113264-43-0,
AK156443,
3-bromo-2-oxoPentanoic acid ethyl ester,
SCHEMBL112412,
ethyl 3-bromo-2-oxo-pentanoate,
NLBXGRQESZKPTO-UHFFFAOYSA-N,
MFCD14706045,
AKOS015917780,
DS-8852,
3-bromo-2-oxo-pentanoic acid ethyl ester,
AX8290711,
DB-060501,
FT-0686821,
ST24046945,
I14-8725,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.066g/mol |
| Monoisotopic Mass | 221.989g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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Signal Words
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warning
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UN Code
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Certificate of Analysis
Lot Number