| CAS Number | 1458481-93-0 |
| Catalog Number | AG00HXGP(AGN-PC-0WP1RD) |
| Chemical Name | 4-Bromo-N-tert-butyl-2-chlorobenzamide |
| IUPAC Name | 4-bromo-N-tert-butyl-2-chlorobenzamide |
| InChI | InChI=1S/C11H13BrClNO/c1-11(2,3)14-10(15)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3,(H,14,15) |
| InChI Key | OFXSAIBJUHEQCH-UHFFFAOYSA-N |
| MDL Number | MFCD20146717 |
| Molecular Formula | C11H13BrClNO |
| Molecular Weight | 290.5840 |
| SMILES | Brc1ccc(c(c1)Cl)C(=O)NC(C)(C)C |
| Synonyms | 4-bromo-N-tert-butyl-2-chlorobenzamide,
1458481-93-0,
SCHEMBL16823601,
ZINC54851064,
AKOS010291191,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.585g/mol |
| Monoisotopic Mass | 288.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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