CID 88532810

C2HCl3NaO — CID 88532810

IUPAC—
SMILESO=CC(Cl)(Cl)Cl.[Na]
InChIInChI=1S/C2HCl3O.Na/c3-2(4,5)1-6;/h1H;
InChIKeyXVDLPCGEQNXIJG-UHFFFAOYSA-N
MW170.38 g/mol
LogP1.17
Rot. Bonds

About CID 88532810

CID 88532810 (PubChem CID 88532810) has the molecular formula C2HCl3NaO and a molecular weight of 170.38 g/mol.

Molecular Properties

Compound NameCID 88532810
PubChem CID88532810
Molecular FormulaC2HCl3NaO
Molecular Weight170.38 g/mol
Exact Mass168.90
IUPAC Name—
SMILESO=CC(Cl)(Cl)Cl.[Na]
InChIInChI=1S/C2HCl3O.Na/c3-2(4,5)1-6;/h1H;
InChIKeyXVDLPCGEQNXIJG-UHFFFAOYSA-N
XLogP1.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.38
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88532810?
The IUPAC name of CID 88532810 (CID 88532810) is not available.
What is the SMILES notation for CID 88532810?
The canonical SMILES for CID 88532810 is O=CC(Cl)(Cl)Cl.[Na].
What is the InChIKey of CID 88532810?
The InChIKey is XVDLPCGEQNXIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl3O.Na/c3-2(4,5)1-6;/h1H;.
What are the key properties of CID 88532810?
CID 88532810 has a molecular weight of 170.38 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88532810 is sourced from PubChem (CID 88532810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).