AC1Q3CBH
4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride
Also Known As: KST-1B4014|1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride|1-(4-fluorophenyl)-4-(1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl)butan-1-one hydrochloride(1:1)|1-Butanone, 1-(4-fluorophenyl)-4-naphthalen-1,4-imin-9-yl-, hydrochloride|1-(4-Fluorophenyl)-4-(1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl)butan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C20H21ClFNO |
|---|---|
| Molecular Weight | 345.12958 g/mol |
| LogP | 5.1022 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.12958 |
| Monoisotopic Mass | 345.12958 |
| Heavy Atoms | 24 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 40528-23-2 |
|---|---|
| SMILES | C1CC2C3=CC=CC=C3C1N2CCCC(=O)C4=CC=C(C=C4)F.Cl |
| InChIKey | JKJYUMKEVPZTCO-UHFFFAOYSA-N |
Product Overview
AC1Q3CBH (CAS 40528-23-2), with molecular formula C20H21ClFNO and molecular weight 345.12958 g/mol. IUPAC: 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride.
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