| CAS Number | 1050886-00-4 |
| Catalog Number | AG018SFO(AGN-PC-0WBQFE) |
| Chemical Name | 3-(4-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxylic acid |
| IUPAC Name | 3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid |
| InChI | InChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)14-17-13(15(19)20)12-4-2-1-3-9-18(12)14/h5-8H,1-4,9H2,(H,19,20) |
| InChI Key | XNFODVDNLZQGJX-UHFFFAOYSA-N |
| MDL Number | MFCD10686866 |
| Molecular Formula | C15H15FN2O2 |
| Molecular Weight | 274.2902 |
| SMILES | OC(C1=C2N(CCCCC2)C(C2=CC=C(F)C=C2)=N1)=O |
| Synonyms | 3-(4-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxylic acid,
1050886-00-4,
EN300-36218,
3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid,
AC1Q72Q2,
CTK7C0230,
ZINC20283427,
AKOS023166207,
MCULE-3696519051,
F8889-9370,
Z367678638,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.295g/mol |
| Monoisotopic Mass | 274.112g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number