| CAS Number | 1213203-92-9 |
| Catalog Number | AG009ZKO |
| Chemical Name | (R)-1-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-ethylamine |
| IUPAC Name | (1R)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanamine |
| InChI | InChI=1S/C9H9F2NO2/c1-5(12)6-3-2-4-7-8(6)14-9(10,11)13-7/h2-5H,12H2,1H3/t5-/m1/s1 |
| InChI Key | CBTSTJVNWKVHDE-RXMQYKEDSA-N |
| MDL Number | MFCD09829311 |
| Molecular Formula | C9H9F2NO2 |
| Molecular Weight | 201.1701 |
| SMILES | FC1(OC2=C(O1)C=CC=C2[C@@H](C)N)F |
| Synonyms | 1213203-92-9,
(R)-1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-4-YL)-ETHYLAMINE,
SCHEMBL3704838,
MFCD09829311,
ZINC82912764,
(1R)-1-(2,2-difluorobenzo[d]1,3-dioxolen-4-yl)ethylamine, AldrichCPR,
(1R)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanamine,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.173g/mol |
| Monoisotopic Mass | 201.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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