molecular chlorine;hexahydrate

H12Cl2O6 — CID 140520048

IUPACmolecular chlorine;hexahydrate
SMILESClCl.O.O.O.O.O.O
InChIInChI=1S/Cl2.6H2O/c1-2;;;;;;/h;6*1H2
InChIKeyOLYQAPIUCYWTBM-UHFFFAOYSA-N
MW179.00 g/mol
LogP-3.57
Rot. Bonds

About molecular chlorine;hexahydrate

molecular chlorine;hexahydrate (PubChem CID 140520048) has the molecular formula H12Cl2O6 and a molecular weight of 179.00 g/mol. Its IUPAC name is molecular chlorine;hexahydrate.

Molecular Properties

Compound Namemolecular chlorine;hexahydrate
PubChem CID140520048
Molecular FormulaH12Cl2O6
Molecular Weight179.00 g/mol
Exact Mass178.00
IUPAC Namemolecular chlorine;hexahydrate
SMILESClCl.O.O.O.O.O.O
InChIInChI=1S/Cl2.6H2O/c1-2;;;;;;/h;6*1H2
InChIKeyOLYQAPIUCYWTBM-UHFFFAOYSA-N
XLogP-3.57
TPSA189.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.00
LogP ≤ 5-3.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of molecular chlorine;hexahydrate?
The IUPAC name of molecular chlorine;hexahydrate (CID 140520048) is molecular chlorine;hexahydrate.
What is the SMILES notation for molecular chlorine;hexahydrate?
The canonical SMILES for molecular chlorine;hexahydrate is ClCl.O.O.O.O.O.O.
What is the InChIKey of molecular chlorine;hexahydrate?
The InChIKey is OLYQAPIUCYWTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2.6H2O/c1-2;;;;;;/h;6*1H2.
What are the key properties of molecular chlorine;hexahydrate?
molecular chlorine;hexahydrate has a molecular weight of 179.00 g/mol, XLogP of -3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular chlorine;hexahydrate is sourced from PubChem (CID 140520048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).