| CAS Number | 926213-29-8 |
| Catalog Number | AG00JVFQ(AGN-PC-0WOPJM) |
| Chemical Name | 1-(2-fluorobenzoyl)-1,4-diazepane |
| IUPAC Name | 1,4-diazepan-1-yl-(2-fluorophenyl)methanone |
| InChI | InChI=1S/C12H15FN2O/c13-11-5-2-1-4-10(11)12(16)15-8-3-6-14-7-9-15/h1-2,4-5,14H,3,6-9H2 |
| InChI Key | DFMUIGAXODDLLX-UHFFFAOYSA-N |
| MDL Number | MFCD09044069 |
| Molecular Formula | C12H15FN2O |
| Molecular Weight | 222.2587 |
| SMILES | FC1=C(C(N2CCNCCC2)=O)C=CC=C1 |
| Synonyms | 1-(2-FLUOROBENZOYL)-1,4-DIAZEPANE,
926213-29-8,
CTK7C2311,
KS-00001NVO,
ZINC19679938,
AKOS002434566,
MCULE-9297997437,
NE32288,
Z228587480,
1-[(2-fluorophenyl)carbonyl]-1,4-diazepane,
Methanone, (2-fluorophenyl)(hexahydro-1H-1,4-diazepin-1-yl),
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.116841g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.26g/mol |
| Monoisotopic Mass | 222.116841g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number