Copper(I) chloride
Athanor · official
ClCu · 99 g/mol
IUPAC name: copper(1+) chloride
Also called cuprous chloride, nantokite
Names and identifiers
- IUPAC name
- copper(1+) chloride
- Synonyms
- cuprous chloride, nantokite, Cuprouschloride
+ 9 more
copper(1+);chloride, ClCu, Cu(II) chloride, SCHEMBL37689, CUPROUS CHLORIDE [MI], AKOS015904522, C2162, NS00112630, F094486
- Molecular formula
- ClCu
- Empirical formula
- ClCu
- Molecular weight
- 99 g/mol
- Exact mass
- 97.89845
- CAS number
- 7758-89-6
- PubChem CID
- 6432712
- Canonical SMILES
- [Cl-].[Cu+]
- Isomeric SMILES
- [Cl-].[Cu+]
- InChI
- InChI=1S/ClH.Cu/h1H;/q;+1/p-1
- InChIKey
- OXBLHERUFWYNTN-UHFFFAOYSA-M
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 2
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0
- H-bond donors
- 0
- H-bond acceptors
- 0 computed here · PubChem 1
- Rotatable bonds
- 0
- TPSA (Ų)
- 0
- Formal charge
- 0
- Complexity
- 0 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- Kh of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- Cl35.81%
- Cu64.19%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- -3 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 1.44 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 7.79 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 99
- log P ≤ 5 (Crippen): -3
- H-bond donors ≤ 5: 0
- H-bond acceptors ≤ 10: 0
Passes all four rules.
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
No GHS hazard classification was found in the sources.
Safety data sheets on the supplier’s page: J&H Chemical Co.,ltd, ChemoSapiens, Chem-Space.com Database.
Always read the supplier’s safety data sheet before working with it.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.