| CAS Number | 1097794-77-8 |
| Catalog Number | AG019KZ6 |
| Chemical Name | 2-bromo-N-(3,4-dihydro-2H-1-benzopyran-4-yl)-3-methylbutanamide |
| IUPAC Name | 2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide |
| InChI | InChI=1S/C14H18BrNO2/c1-9(2)13(15)14(17)16-11-7-8-18-12-6-4-3-5-10(11)12/h3-6,9,11,13H,7-8H2,1-2H3,(H,16,17) |
| InChI Key | BJEONJHYTGUFOZ-UHFFFAOYSA-N |
| MDL Number | MFCD11547037 |
| Molecular Formula | C14H18BrNO2 |
| Molecular Weight | 312.2022 |
| SMILES | CC(C(C(NC1C2=C(C=CC=C2)OCC1)=O)Br)C |
| Synonyms | 2-bromo-N-(3,4-dihydro-2H-1-benzopyran-4-yl)-3-methylbutanamide,
1097794-77-8,
AKOS009145214,
NE42414,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.207g/mol |
| Monoisotopic Mass | 311.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number