| CAS Number | 868064-74-8 |
| Catalog Number | AG01B9EF(AGN-PC-0E2Q3R) |
| Chemical Name | 1-(3,4-Difluorophenyl)-1,4-diazepane |
| IUPAC Name | 1-(3,4-difluorophenyl)-1,4-diazepane |
| InChI | InChI=1S/C11H14F2N2/c12-10-3-2-9(8-11(10)13)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2 |
| InChI Key | XULKFPPPSRQKJA-UHFFFAOYSA-N |
| MDL Number | MFCD14696085 |
| Molecular Formula | C11H14F2N2 |
| Molecular Weight | 212.2391 |
| SMILES | FC1=C(F)C=C(N2CCNCCC2)C=C1 |
| Synonyms | 1-(3,4-difluorophenyl)-1,4-diazepane,
868064-74-8,
1H-1,4-Diazepine, 1-(3,4-difluorophenyl)hexahydro-,
SCHEMBL5231793,
ZINC49660579,
AKOS010814416,
Z2017694646,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.244g/mol |
| Monoisotopic Mass | 212.113g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number