sodium 2-chlorobenzene-5-ide-1-carbaldehyde

C7H4ClNaO — CID 165152527

IUPACsodium 2-chlorobenzene-5-ide-1-carbaldehyde
SMILESO=Cc1c[c-]ccc1Cl.[Na+]
InChIInChI=1S/C7H4ClO.Na/c8-7-4-2-1-3-6(7)5-9;/h2-5H;/q-1;+1
InChIKeyNRQINCHMBDUXGA-UHFFFAOYSA-N
MW162.55 g/mol
LogP-1.04
Rot. Bonds1

About sodium 2-chlorobenzene-5-ide-1-carbaldehyde

sodium 2-chlorobenzene-5-ide-1-carbaldehyde (PubChem CID 165152527) has the molecular formula C7H4ClNaO and a molecular weight of 162.55 g/mol. Its IUPAC name is sodium 2-chlorobenzene-5-ide-1-carbaldehyde.

Molecular Properties

Compound Namesodium 2-chlorobenzene-5-ide-1-carbaldehyde
PubChem CID165152527
Molecular FormulaC7H4ClNaO
Molecular Weight162.55 g/mol
Exact Mass161.98
IUPAC Namesodium 2-chlorobenzene-5-ide-1-carbaldehyde
SMILESO=Cc1c[c-]ccc1Cl.[Na+]
InChIInChI=1S/C7H4ClO.Na/c8-7-4-2-1-3-6(7)5-9;/h2-5H;/q-1;+1
InChIKeyNRQINCHMBDUXGA-UHFFFAOYSA-N
XLogP-1.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.55
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-chlorobenzene-5-ide-1-carbaldehyde?
The IUPAC name of sodium 2-chlorobenzene-5-ide-1-carbaldehyde (CID 165152527) is sodium 2-chlorobenzene-5-ide-1-carbaldehyde.
What is the SMILES notation for sodium 2-chlorobenzene-5-ide-1-carbaldehyde?
The canonical SMILES for sodium 2-chlorobenzene-5-ide-1-carbaldehyde is O=Cc1c[c-]ccc1Cl.[Na+].
What is the InChIKey of sodium 2-chlorobenzene-5-ide-1-carbaldehyde?
The InChIKey is NRQINCHMBDUXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClO.Na/c8-7-4-2-1-3-6(7)5-9;/h2-5H;/q-1;+1.
What are the key properties of sodium 2-chlorobenzene-5-ide-1-carbaldehyde?
sodium 2-chlorobenzene-5-ide-1-carbaldehyde has a molecular weight of 162.55 g/mol, XLogP of -1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-chlorobenzene-5-ide-1-carbaldehyde is sourced from PubChem (CID 165152527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).