| CAS Number | 13887-51-9 |
| Catalog Number | AG00HVBV(AGN-PC-00NWBI) |
| Chemical Name | Morpholine, 4-(2-bromo-2-methyl-1-oxopropyl)- |
| IUPAC Name | 2-bromo-2-methyl-1-morpholin-4-ylpropan-1-one |
| InChI | InChI=1S/C8H14BrNO2/c1-8(2,9)7(11)10-3-5-12-6-4-10/h3-6H2,1-2H3 |
| InChI Key | RGNTXYFLZHGRQA-UHFFFAOYSA-N |
| MDL Number | MFCD12910756 |
| Molecular Formula | C8H14BrNO2 |
| Molecular Weight | 236.1063 |
| SMILES | CC(C)(Br)C(N1CCOCC1)=O |
| Synonyms | 2-BROMO-2-METHYL-1-MORPHOLINOPROPAN-1-ONE,
13887-51-9,
2-Bromo-2-methyl-1-(morpholin-4-yl)propan-1-one,
DTXSID10548903,
MFCD12910756,
ZINC44713511,
AKOS022548744,
4-(2-Bromo-2-methylpropionyl)morpholine,
AS-31832,
A1-13436,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.109g/mol |
| Monoisotopic Mass | 235.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number