| CAS Number | 1158063-61-6 |
| Catalog Number | AG01AHOC(AGN-PC-0WO0OS) |
| Chemical Name | 6-bromo-N-(prop-2-yn-1-yl)-3,4-dihydro-2H-1-benzopyran-4-amine |
| IUPAC Name | 6-bromo-N-prop-2-ynyl-3,4-dihydro-2H-chromen-4-amine |
| InChI | InChI=1S/C12H12BrNO/c1-2-6-14-11-5-7-15-12-4-3-9(13)8-10(11)12/h1,3-4,8,11,14H,5-7H2 |
| InChI Key | ZFTAODXBBWCGTN-UHFFFAOYSA-N |
| MDL Number | MFCD12049224 |
| Molecular Formula | C12H12BrNO |
| Molecular Weight | 266.1338 |
| SMILES | BrC1=CC2=C(OCCC2NCC#C)C=C1 |
| Synonyms | 6-bromo-N-(prop-2-yn-1-yl)-3,4-dihydro-2H-1-benzopyran-4-amine,
EN300-75317,
1158063-61-6,
AKOS009941452,
NE59494,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.138g/mol |
| Monoisotopic Mass | 265.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number