| CAS Number | 1021021-78-2 |
| Catalog Number | AG01A5HT |
| Chemical Name | N-(4-bromo-2,6-dimethylphenyl)-4-chlorobutanamide |
| IUPAC Name | N-(4-bromo-2,6-dimethylphenyl)-4-chlorobutanamide |
| InChI | InChI=1S/C12H15BrClNO/c1-8-6-10(13)7-9(2)12(8)15-11(16)4-3-5-14/h6-7H,3-5H2,1-2H3,(H,15,16) |
| InChI Key | PXQWBMWLLQMNKB-UHFFFAOYSA-N |
| MDL Number | MFCD13810323 |
| Molecular Formula | C12H15BrClNO |
| Molecular Weight | 304.6106 |
| SMILES | CC1=C(NC(CCCCl)=O)C(C)=CC(Br)=C1 |
| Synonyms | N-(4-bromo-2,6-dimethylphenyl)-4-chlorobutanamide,
1021021-78-2,
ZINC20030895,
AKOS000249323,
NE48867,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.612g/mol |
| Monoisotopic Mass | 303.003g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number