| CAS Number | 910400-40-7 |
| Catalog Number | AG019MZV(AGN-PC-0WO4NH) |
| Chemical Name | 2-(6-Fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)ethan-1-amine |
| IUPAC Name | 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine |
| InChI | InChI=1S/C10H12FNO2/c11-9-3-7(1-2-12)10-8(4-9)5-13-6-14-10/h3-4H,1-2,5-6,12H2 |
| InChI Key | KJXOORGVJXTGTH-UHFFFAOYSA-N |
| MDL Number | MFCD08449265 |
| Molecular Formula | C10H12FNO2 |
| Molecular Weight | 197.2062 |
| SMILES | NCCC1=C2C(COCO2)=CC(F)=C1 |
| Synonyms | 2-(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)ethan-1-amine,
910400-40-7,
2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine,
CTK7E7408,
ZINC32627419,
AKOS023630470,
MCULE-4392440951,
NE34243,
EN300-39042,
Z1245633092,
AC1Q54AB,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.085207g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.21g/mol |
| Monoisotopic Mass | 197.085207g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number