| CAS Number | 1290634-39-7 |
| Catalog Number | AG01BB70 |
| Chemical Name | 5-Bromo-N,2-dimethylbenzamide |
| IUPAC Name | 5-bromo-N,2-dimethylbenzamide |
| InChI | InChI=1S/C9H10BrNO/c1-6-3-4-7(10)5-8(6)9(12)11-2/h3-5H,1-2H3,(H,11,12) |
| InChI Key | HQMSFKCYMRDNAE-UHFFFAOYSA-N |
| MDL Number | MFCD21193017 |
| Molecular Formula | C9H10BrNO |
| Molecular Weight | 228.0858 |
| SMILES | BrC=1C=CC(=C(C(=O)NC)C1)C |
| Synonyms | 5-bromo-N,2-dimethylbenzamide,
1290634-39-7,
SCHEMBL827985,
5-Bromo-2,N-dimethylbenzamide,
HQMSFKCYMRDNAE-UHFFFAOYSA-N,
ZINC59859312,
AKOS014643034,
DA-46357,
FT-0766946,
A1-07756,
Z1265814003,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.99458g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.09g/mol |
| Monoisotopic Mass | 226.99458g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number