CID 172779404

C2H3CaClO2 — CID 172779404

IUPAC—
SMILESCC(=O)OCl.[Ca]
InChIInChI=1S/C2H3ClO2.Ca/c1-2(4)5-3;/h1H3;
InChIKeyOAZALHJIJGEOME-UHFFFAOYSA-N
MW134.57 g/mol
LogP0.32
Rot. Bonds

About CID 172779404

CID 172779404 (PubChem CID 172779404) has the molecular formula C2H3CaClO2 and a molecular weight of 134.57 g/mol.

Molecular Properties

Compound NameCID 172779404
PubChem CID172779404
Molecular FormulaC2H3CaClO2
Molecular Weight134.57 g/mol
Exact Mass133.94
IUPAC Name—
SMILESCC(=O)OCl.[Ca]
InChIInChI=1S/C2H3ClO2.Ca/c1-2(4)5-3;/h1H3;
InChIKeyOAZALHJIJGEOME-UHFFFAOYSA-N
XLogP0.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.57
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 172779404?
The IUPAC name of CID 172779404 (CID 172779404) is not available.
What is the SMILES notation for CID 172779404?
The canonical SMILES for CID 172779404 is CC(=O)OCl.[Ca].
What is the InChIKey of CID 172779404?
The InChIKey is OAZALHJIJGEOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO2.Ca/c1-2(4)5-3;/h1H3;.
What are the key properties of CID 172779404?
CID 172779404 has a molecular weight of 134.57 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172779404 is sourced from PubChem (CID 172779404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).