| CAS Number | 1269152-18-2 |
| Catalog Number | AG01AH0V |
| Chemical Name | 1-[(4-Fluorophenyl)carbonyl]-1,4-diazepane hydrochloride |
| IUPAC Name | 1,4-diazepan-1-yl-(4-fluorophenyl)methanone;hydrochloride |
| InChI | InChI=1S/C12H15FN2O.ClH/c13-11-4-2-10(3-5-11)12(16)15-8-1-6-14-7-9-15;/h2-5,14H,1,6-9H2;1H |
| InChI Key | XUDCQKICDREHIF-UHFFFAOYSA-N |
| MDL Number | MFCD18380739 |
| Molecular Formula | C12H16ClFN2O |
| Molecular Weight | 258.7196 |
| SMILES | Cl.FC1=CC=C(C(N2CCNCCC2)=O)C=C1 |
| Synonyms | 1-(4-fluorobenzoyl)-1,4-diazepane hydrochloride,
1269152-18-2,
1-[(4-fluorophenyl)carbonyl]-1,4-diazepane hydrochloride,
AC1Q3CAI,
AKOS008060527,
MCULE-9903705118,
NE31683,
EN300-73377,
Z1266854942,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.721g/mol |
| Monoisotopic Mass | 258.094g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number