| CAS Number | 1114573-41-9 |
| Catalog Number | AG01ACCS(AGN-PC-0WOBB5) |
| Chemical Name | 5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one |
| IUPAC Name | 5-bromo-1-(cyclopropylmethyl)pyridin-2-one |
| InChI | InChI=1S/C9H10BrNO/c10-8-3-4-9(12)11(6-8)5-7-1-2-7/h3-4,6-7H,1-2,5H2 |
| InChI Key | LYJAMRBVRNCRMA-UHFFFAOYSA-N |
| MDL Number | MFCD21746683 |
| Molecular Formula | C9H10BrNO |
| Molecular Weight | 228.0858 |
| SMILES | BrC=1C=CC(N(C1)CC1CC1)=O |
| Synonyms | 5-bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one,
1114573-41-9,
5-bromo-1-(cyclopropylmethyl)pyridin-2(1H)-one,
SCHEMBL120724,
LYJAMRBVRNCRMA-UHFFFAOYSA-N,
ZINC85463826,
AKOS015654224,
KS-9188,
NE39820,
5-bromo-1-cyclopropylmethyl-1H-pyridin-2-one,
5-bromo-1-cyclopropylmethyl-1H-pyridin -2-one,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.089g/mol |
| Monoisotopic Mass | 226.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number