| CAS Number | 1820674-66-5 |
| Catalog Number | AG01FLX8(AGN-PC-0WCN2Y) |
| Chemical Name | 5-(Bromomethyl)-1-methylpyrrolidin-2-one |
| IUPAC Name | 5-(bromomethyl)-1-methylpyrrolidin-2-one |
| InChI | InChI=1S/C6H10BrNO/c1-8-5(4-7)2-3-6(8)9/h5H,2-4H2,1H3 |
| InChI Key | JUPATYQJRQJNSF-UHFFFAOYSA-N |
| MDL Number | MFCD24512424 |
| Molecular Formula | C6H10BrNO |
| Molecular Weight | 192.0537 |
| SMILES | O=C1N(C)C(CBr)CC1 |
| Synonyms | 5-(bromomethyl)-1-methylpyrrolidin-2-one,
1820674-66-5,
AC1LBYND,
.alpha.-Pyrrolidone, N-methyl-5-bromomethyl-,
CTK6I1555,
JUPATYQJRQJNSF-UHFFFAOYSA-N,
AKOS025312632,
5-(Bromomethyl)-1-methyl-2-pyrrolidinone #,
F1905-0025,
CID566561,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.056g/mol |
| Monoisotopic Mass | 190.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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