| CAS Number | 893420-18-3 |
| Catalog Number | AG01A4OR(AGN-PC-0BVGJB) |
| Chemical Name | 4-bromo-N,2-dimethylbenzamide |
| IUPAC Name | 4-bromo-N,2-dimethylbenzamide |
| InChI | InChI=1S/C9H10BrNO/c1-6-5-7(10)3-4-8(6)9(12)11-2/h3-5H,1-2H3,(H,11,12) |
| InChI Key | NFMDVDVBIHOWTE-UHFFFAOYSA-N |
| MDL Number | MFCD19597087 |
| Molecular Formula | C9H10BrNO |
| Molecular Weight | 228.0858 |
| SMILES | CNC(C1=C(C)C=C(Br)C=C1)=O |
| Synonyms | 4-bromo-N,2-dimethylbenzamide,
893420-18-3,
SCHEMBL1697081,
NFMDVDVBIHOWTE-UHFFFAOYSA-N,
Benzamide, 4-bromo-N,2-dimethyl-,
ZINC48190568,
4-Bromo-2-methyl-N-methyl-benzamide,
AKOS010135154,
MCULE-4600665617,
NE54425,
A1-02043,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number