| CAS Number | 101384-63-8 |
| Catalog Number | AG00IQRW(AGN-PC-0KKQ5M) |
| Chemical Name | 1-benzyl-5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-benzyl-5-bromo-2-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H10BrNO3/c14-10-6-11(13(17)18)12(16)15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,18) |
| InChI Key | HPWHNUKTQGMPDV-UHFFFAOYSA-N |
| MDL Number | MFCD05663803 |
| Molecular Formula | C13H10BrNO3 |
| Molecular Weight | 308.1274 |
| SMILES | OC(C1C(=O)N(CC2=CC=CC=C2)C=C(Br)C=1)=O |
| Synonyms | 1-benzyl-5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid,
101384-63-8,
1-benzyl-5-bromo-2-oxopyridine-3-carboxylic acid,
1-Benzyl-5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
AC1MC9MP,
SCHEMBL18584756,
CTK5I8830,
ZINC170142,
MFCD05663803,
AKOS005071067,
MCULE-5964150530,
RP16261,
KS-0000201N,
AJ-17403,
TR-063850,
7X-0716,
CID2764324,
1-benzyl-5-bromo-2-oxo-pyridine-3-carboxylic Acid,
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| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.131g/mol |
| Monoisotopic Mass | 306.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number