| CAS Number | 42014-52-8 |
| Catalog Number | AG01FFMS(AGN-PC-3H4A70) |
| Chemical Name | (2,5-dioxopyrrolidin-1-yl) 4-bromobutanoate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 4-bromobutanoate |
| InChI | InChI=1S/C8H10BrNO4/c9-5-1-2-8(13)14-10-6(11)3-4-7(10)12/h1-5H2 |
| InChI Key | AAGAKYYEPYSBCP-UHFFFAOYSA-N |
| MDL Number | MFCD08689878 |
| Molecular Formula | C8H10BrNO4 |
| Molecular Weight | 264.0733 |
| SMILES | BrCCCC(=O)ON1C(=O)CCC1=O |
| Synonyms | 42014-52-8,
SCHEMBL3542603,
CTK1D3494,
DTXSID10628557,
2,5-dioxopyrrolidin-1-yl 4-bromobutanoate,
1-[(4-Bromobutanoyl)oxy]pyrrolidine-2,5-dione,
2,5-Pyrrolidinedione, 1-(4-bromo-1-oxobutoxy)-,
A1-06594,
Butanoic acid, 4-bromo-, 2,5-dioxo-1-pyrrolidinyl ester,
(2,5-dioxopyrrolidin-1-yl) 4-bromobutanoate,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.075g/mol |
| Monoisotopic Mass | 262.979g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number