| CAS Number | 217448-53-8 |
| Catalog Number | AG00I481(AGN-PC-00P49Q) |
| Chemical Name | 2(1H)-Pyridinone, 5-bromo-1-(phenylmethyl)- |
| IUPAC Name | 1-benzyl-5-bromopyridin-2-one |
| InChI | InChI=1S/C12H10BrNO/c13-11-6-7-12(15)14(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChI Key | CTTIPOGAOKXCDF-UHFFFAOYSA-N |
| MDL Number | MFCD02326300 |
| Molecular Formula | C12H10BrNO |
| Molecular Weight | 264.1179 |
| SMILES | [Br]C1(=CN(C(=O)C=C1)CC2(=CC=CC=C2)) |
| Synonyms | 217448-53-8,
1-Benzyl-5-bromopyridin-2(1H)-one,
1-benzyl-5-bromo-1,2-dihydropyridin-2-one,
2(1H)-Pyridinone, 5-bromo-1-(phenylmethyl)-,
5-bromo-N-benzylpyridin-2-one,
1-benzyl-5-bromopyridin-2-one,
Oprea1_733329,
AMTH053,
SCHEMBL16466424,
CTTIPOGAOKXCDF-UHFFFAOYSA-N,
MFCD02326300,
ZINC12981517,
AKOS008912674,
AS-3117,
MCULE-2296977382,
Q-7062,
C12H10BrNO,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.122g/mol |
| Monoisotopic Mass | 262.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number