| CAS Number | 1215206-00-0 |
| Catalog Number | AG001569(AGN-PC-09PZQ5) |
| Chemical Name | 1-Benzyl-3-bromo-5-(trifluoromethyl)pyridin-2(1H)-one |
| IUPAC Name | 1-benzyl-3-bromo-5-(trifluoromethyl)pyridin-2-one |
| InChI | InChI=1S/C13H9BrF3NO/c14-11-6-10(13(15,16)17)8-18(12(11)19)7-9-4-2-1-3-5-9/h1-6,8H,7H2 |
| InChI Key | FIJNVJVKAFYPBW-UHFFFAOYSA-N |
| MDL Number | MFCD15143621 |
| Molecular Formula | C13H9BrF3NO |
| Molecular Weight | 332.1159 |
| SMILES | BrC1=CC(=CN(CC2C=CC=CC=2)C1=O)C(F)(F)F |
| Synonyms | 1-Benzyl-3-bromo-5-(trifluoromethyl)pyridin-2(1H)-one,
1215206-00-0,
ACMC-209acn,
1-benzyl-3-bromo-5-(trifluoromethyl)pyridin-2-one,
CTK4B2447,
DTXSID30682419,
ANW-17685,
MFCD15143621,
ZINC65337469,
AKOS015839160,
FCH2819057,
AJ-115173,
AX8229809,
TR-034563,
ST24021217,
Z8380,
B-6669,
I14-25129,
2(1H)-Pyridinone, 3-bromo-1-(phenylmethyl)-5-(trifluoromethyl)-,
C13H9BrF3NO,
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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 | 330.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.12g/mol |
| Monoisotopic Mass | 330.982g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number