| CAS Number | 945671-51-2 |
| Catalog Number | AG01989V(AGN-PC-0WA9HA) |
| Chemical Name | 4-(Bromomethyl)Pyrrolidin-2-One |
| IUPAC Name | 4-(bromomethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C5H8BrNO/c6-2-4-1-5(8)7-3-4/h4H,1-3H2,(H,7,8) |
| InChI Key | UQOBYBZHCXBRGL-UHFFFAOYSA-N |
| MDL Number | MFCD20627666 |
| Molecular Formula | C5H8BrNO |
| Molecular Weight | 178.0271 |
| SMILES | O=C(C1)NCC1CBr |
| Synonyms | 4-(bromomethyl)pyrrolidin-2-one,
945671-51-2,
4-bromomethylpyrrolidin-2-one,
SCHEMBL4530603,
UQOBYBZHCXBRGL-UHFFFAOYSA-N,
MFCD20627666,
AKOS025312630,
4-(BROMOMETHYL)-2-PYRROLIDINONE,
F1905-0017,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.029g/mol |
| Monoisotopic Mass | 176.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number