| CAS Number | 1824342-89-3 |
| Catalog Number | AG00J2VG(AGN-PC-0WRARJ) |
| Chemical Name | 4-(bromomethyl)-1-methyl-2-pyrrolidinone |
| IUPAC Name | 4-(bromomethyl)-1-methylpyrrolidin-2-one |
| InChI | InChI=1S/C6H10BrNO/c1-8-4-5(3-7)2-6(8)9/h5H,2-4H2,1H3 |
| InChI Key | ZFTVWEDESDLAGE-UHFFFAOYSA-N |
| MDL Number | MFCD22398144 |
| Molecular Formula | C6H10BrNO |
| Molecular Weight | 192.0537 |
| SMILES | BrCC1CC(N(C1)C)=O |
| Synonyms | 4-(bromomethyl)-1-methylpyrrolidin-2-one,
1824342-89-3,
4-(Bromomethyl)-1-methyl-2-pyrrolidinone,
SCHEMBL19357292,
MFCD22398144,
AKOS026728680,
F1905-0018,
|
| 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 | 0.4 |
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Certificate of Analysis
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