| CAS Number | 101421-61-8 |
| Catalog Number | AG01FFHH(AGN-PC-3H4A5I) |
| Chemical Name | 2-Bromo-5-methylbenzamide |
| IUPAC Name | 2-bromo-5-methylbenzamide |
| InChI | InChI=1S/C8H8BrNO/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H2,10,11) |
| InChI Key | DDLKZVKEMMUFKO-UHFFFAOYSA-N |
| MDL Number | MFCD18392005 |
| Molecular Formula | C8H8BrNO |
| Molecular Weight | 214.0592 |
| SMILES | BrC1=C(C(=O)N)C=C(C=C1)C |
| Synonyms | 2-bromo-5-methylbenzamide,
101421-61-8,
SCHEMBL13254950,
ZINC84193126,
AKOS017552496,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.062g/mol |
| Monoisotopic Mass | 212.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number