This entry presents Chlorophacinone (C23H15ClO3; CAS 3691-35-8; PubChem CID 19402) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, Cl, O), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged.

Structure at a glance

• 42 atoms: 23 C, 15 H, 1 Cl, 3 O

• 45 bonds: 24 single, 3 double, 18 aromatic

• Four rings (one 5-membered and three 6-membered), with one pair of rings fused along a shared edge, three of them aromatic

• Functional groups: three ketone groups (C=O) and one C-Cl bond

• One stereocentre; configuration not defined in the source record (no R/S label) — IUPAC name 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione

• No hydrogen-bond donors and three acceptors (computed)

• Fraction of sp3-hybridised (tetrahedral) carbon atoms: 0.09 (computed)

Use in teaching

• Counting task: students tally the engraved symbols (23 C, 15 H, 1 Cl, 3 O; 42 atoms) and rebuild the formula C23H15ClO3 from the model alone.

• Stereochemistry: locate the stereocentre; the source record defines no configuration, so the printed conformer should not be read as a specific stereoisomer.

• Aromaticity: identify the three aromatic rings among the four rings and the 18 bonds recorded as aromatic.

File and printing

STL mesh of 594,382 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 10.084 × 10.623 × 9.837 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 100.8 × 106.2 × 98.4 mm. SHA-256: 5f50179a2ea8bc384433847f5c921fae18294ae428863d12a2b48a3b73b66f2e.

Validation

• InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): UDHXJZHVNHGCEC-UHFFFAOYSA-N

• Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem

• Stereocentres in PubChem: 0 defined, 1 undefined; both counts match this record

• Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file

Source, licence and identifiers

Full record: molgod.org/molecule/3691-35-8 · Licence and provenance record: molgod.org/licenses/stl/3691-35-8 · Same file on Wikimedia Commons: File:Chlorophacinone-3D-molecular-model-engraved-CAS-3691-35-8.stl

• MolGod ID: MG_940-128-408-66

• Wikidata: Q413488

• EC number: 223-003-0

• ChemSpider ID: 18286

• InChIKey: UDHXJZHVNHGCEC-UHFFFAOYSA-N

• SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O

• Molar mass 374.8 g/mol (exact mass 374.0709720)

Licence: CC BY-SA 4.0 (licence text). Required attribution: "Chlorophacinone 3D model by MolGod.org — https://molgod.org/molecule/3691-35-8/ — CC BY-SA 4.0".