| CAS Number | 1803584-17-9 |
| Catalog Number | AG019WH9(AGN-PC-0WO4QF) |
| Chemical Name | 2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile |
| IUPAC Name | 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetonitrile |
| InChI | InChI=1S/C10H8BrNO2/c11-8-5-7(1-2-12)6-9-10(8)14-4-3-13-9/h5-6H,1,3-4H2 |
| InChI Key | BDWOWSKYNMHXST-UHFFFAOYSA-N |
| MDL Number | MFCD27920394 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.0800 |
| SMILES | BrC1=C2C(OCCO2)=CC(CC#N)=C1 |
| Synonyms | 2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile,
1803584-17-9,
ZINC95863146,
AKOS026727626,
FCH2491115,
NE17255,
EN300-51968,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.083g/mol |
| Monoisotopic Mass | 252.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number