CID 162315217

C7HCl5NaO2 — CID 162315217

IUPAC—
SMILESO=C1C(Cl)=C(O)C2(Cl)C(Cl)=C(Cl)C12Cl.[Na]
InChIInChI=1S/C7HCl5O2.Na/c8-1-4(13)6(11)2(9)3(10)7(6,12)5(1)14;/h13H;
InChIKeyUNZJMLIVPZDATI-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.85
Rot. Bonds

About CID 162315217

CID 162315217 (PubChem CID 162315217) has the molecular formula C7HCl5NaO2 and a molecular weight of 317.34 g/mol.

Molecular Properties

Compound NameCID 162315217
PubChem CID162315217
Molecular FormulaC7HCl5NaO2
Molecular Weight317.34 g/mol
Exact Mass314.83
IUPAC Name—
SMILESO=C1C(Cl)=C(O)C2(Cl)C(Cl)=C(Cl)C12Cl.[Na]
InChIInChI=1S/C7HCl5O2.Na/c8-1-4(13)6(11)2(9)3(10)7(6,12)5(1)14;/h13H;
InChIKeyUNZJMLIVPZDATI-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162315217?
The IUPAC name of CID 162315217 (CID 162315217) is not available.
What is the SMILES notation for CID 162315217?
The canonical SMILES for CID 162315217 is O=C1C(Cl)=C(O)C2(Cl)C(Cl)=C(Cl)C12Cl.[Na].
What is the InChIKey of CID 162315217?
The InChIKey is UNZJMLIVPZDATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl5O2.Na/c8-1-4(13)6(11)2(9)3(10)7(6,12)5(1)14;/h13H;.
What are the key properties of CID 162315217?
CID 162315217 has a molecular weight of 317.34 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162315217 is sourced from PubChem (CID 162315217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).