| CAS Number | 34002-90-9 |
| Catalog Number | AG007HVS(AGN-PC-03RADL) |
| Chemical Name | N-(2-bromoacetyl)acetamide |
| IUPAC Name | N-acetyl-2-bromoacetamide |
| InChI | InChI=1S/C4H6BrNO2/c1-3(7)6-4(8)2-5/h2H2,1H3,(H,6,7,8) |
| InChI Key | OWHMEXFXNKBTMM-UHFFFAOYSA-N |
| MDL Number | MFCD18855718 |
| Molecular Formula | C4H6BrNO2 |
| Molecular Weight | 179.9999 |
| SMILES | CC(NC(CBr)=O)=O |
| Synonyms | N-(2-bromoacetyl)acetamide,
34002-90-9,
N-(bromoacetyl)acetamide,
N-acetyl-2-bromoacetamide,
Acetamide, N-acetyl-2-bromo-,
N-acetyl-alpha-bromoacetamide,
SCHEMBL3146267,
CTK1B8018,
DTXSID50626956,
OWHMEXFXNKBTMM-UHFFFAOYSA-N,
ZINC82506568,
AKOS012989418,
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| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.001g/mol |
| Monoisotopic Mass | 178.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number