| CAS Number | 1185510-73-9 |
| Catalog Number | AG00J19P |
| Chemical Name | 1-(4-Fluorophenyl)-1,4-diazepane acetate |
| IUPAC Name | acetic acid;1-(4-fluorophenyl)-1,4-diazepane |
| InChI | InChI=1S/C11H15FN2.C2H4O2/c12-10-2-4-11(5-3-10)14-8-1-6-13-7-9-14;1-2(3)4/h2-5,13H,1,6-9H2;1H3,(H,3,4) |
| InChI Key | PBXZKECCOIHYIS-UHFFFAOYSA-N |
| MDL Number | MFCD11841252 |
| Molecular Formula | C13H19FN2O2 |
| Molecular Weight | 254.3006 |
| SMILES | N1(C2C=CC(=CC=2)F)CCNCCC1.C(C)(O)=O |
| Synonyms | 1-(4-Fluorophenyl)-1,4-diazepane acetate,
1185510-73-9,
ZX-CM003583,
MFCD11841252,
MCULE-5118673508,
1-(4-Fluorophenyl)-1,4-diazepane acetate, AldrichCPR,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.305g/mol |
| Monoisotopic Mass | 254.143g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number