| CAS Number | 1956307-23-5 |
| Catalog Number | AG01DJKS |
| Chemical Name | 6,6-Difluoro-1,4-Diazepane Dihydrochloride |
| IUPAC Name | 6,6-difluoro-1,4-diazepane;dihydrochloride |
| InChI | InChI=1S/C5H10F2N2.2ClH/c6-5(7)3-8-1-2-9-4-5;;/h8-9H,1-4H2;2*1H |
| InChI Key | YTTMASGOKZDUQJ-UHFFFAOYSA-N |
| MDL Number | MFCD28902474 |
| Molecular Formula | C5H12Cl2F2N2 |
| Molecular Weight | 209.0650 |
| SMILES | Cl.Cl.FC1(CNCCNC1)F |
| Synonyms | AKOS025286332,
TZ001053,
6,6-difluoro-1,4-diazepanedihydrochloride,
6,6-DIFLUORO-1,4-DIAZEPANE 2HCL,
6,6-Difluoro-1,4-diazepane dihydrochloride,
1956307-23-5,
|
| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.062g/mol |
| Monoisotopic Mass | 208.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 24.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number