| CAS Number | 1696076-74-0 |
| Catalog Number | AG01FF7D(AGN-PC-3H4A4D) |
| Chemical Name | 2-Bromo-N,3-dimethylbenzamide |
| IUPAC Name | 2-bromo-N,3-dimethylbenzamide |
| InChI | InChI=1S/C9H10BrNO/c1-6-4-3-5-7(8(6)10)9(12)11-2/h3-5H,1-2H3,(H,11,12) |
| InChI Key | PBXWJIRCJNHBCD-UHFFFAOYSA-N |
| MDL Number | MFCD31693511 |
| Molecular Formula | C9H10BrNO |
| Molecular Weight | 228.0858 |
| SMILES | CNC(=O)c1cccc(c1Br)C |
| Synonyms | 2-Bromo-N,3-dimethylbenzamide,
1696076-74-0,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.089g/mol |
| Monoisotopic Mass | 226.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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