| CAS Number | 1282306-68-6 |
| Catalog Number | AG019EZM |
| Chemical Name | Benzamide,4-bromo-3-fluoro-N-(phenylmethyl)- |
| IUPAC Name | N-benzyl-4-bromo-3-fluorobenzamide |
| InChI | InChI=1S/C14H11BrFNO/c15-12-7-6-11(8-13(12)16)14(18)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18) |
| InChI Key | DTEMBOSDECEUBP-UHFFFAOYSA-N |
| MDL Number | MFCD16509482 |
| Molecular Formula | C14H11BrFNO |
| Molecular Weight | 308.1456 |
| SMILES | Fc1cc(ccc1Br)C(=O)NCc1ccccc1 |
| Synonyms | N-benzyl-4-bromo-3-fluorobenzamide,
1282306-68-6,
Benzamide, 4-bromo-3-fluoro-N-(phenylmethyl)-,
AKOS010971330,
CS-0059772,
Benzamide,4-bromo-3-fluoro-N-(phenylmethyl)-,
A1-12103,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.15g/mol |
| Monoisotopic Mass | 307.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number