[chloro(phenyl)methylidene]oxidanium

C7H6ClO+ — CID 134973478

IUPAC[chloro(phenyl)methylidene]oxidanium
SMILES[H]/[O+]=C(\Cl)c1ccccc1
InChIInChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H/p+1
InChIKeyPASDCCFISLVPSO-UHFFFAOYSA-O
MW141.58 g/mol
LogP1.78
Rot. Bonds1

About [chloro(phenyl)methylidene]oxidanium

[chloro(phenyl)methylidene]oxidanium (PubChem CID 134973478) has the molecular formula C7H6ClO+ and a molecular weight of 141.58 g/mol. Its IUPAC name is [chloro(phenyl)methylidene]oxidanium.

Molecular Properties

Compound Name[chloro(phenyl)methylidene]oxidanium
PubChem CID134973478
Molecular FormulaC7H6ClO+
Molecular Weight141.58 g/mol
Exact Mass141.01
IUPAC Name[chloro(phenyl)methylidene]oxidanium
SMILES[H]/[O+]=C(\Cl)c1ccccc1
InChIInChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H/p+1
InChIKeyPASDCCFISLVPSO-UHFFFAOYSA-O
XLogP1.78
TPSA21.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.58
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [chloro(phenyl)methylidene]oxidanium?
The IUPAC name of [chloro(phenyl)methylidene]oxidanium (CID 134973478) is [chloro(phenyl)methylidene]oxidanium.
What is the SMILES notation for [chloro(phenyl)methylidene]oxidanium?
The canonical SMILES for [chloro(phenyl)methylidene]oxidanium is [H]/[O+]=C(\Cl)c1ccccc1.
What is the InChIKey of [chloro(phenyl)methylidene]oxidanium?
The InChIKey is PASDCCFISLVPSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H/p+1.
What are the key properties of [chloro(phenyl)methylidene]oxidanium?
[chloro(phenyl)methylidene]oxidanium has a molecular weight of 141.58 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(phenyl)methylidene]oxidanium is sourced from PubChem (CID 134973478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).