6,7-dichloro-4-oxochromene-3-carbaldehyde

C10H4Cl2O3 — CID 57352082

IUPAC6,7-dichloro-4-oxochromene-3-carbaldehyde
SMILESO=Cc1coc2cc(Cl)c(Cl)cc2c1=O
InChIInChI=1S/C10H4Cl2O3/c11-7-1-6-9(2-8(7)12)15-4-5(3-13)10(6)14/h1-4H
InChIKeyOBLBAQQFHGLLIP-UHFFFAOYSA-N
MW243.04 g/mol
LogP2.91
Rot. Bonds1

About 6,7-dichloro-4-oxochromene-3-carbaldehyde

6,7-dichloro-4-oxochromene-3-carbaldehyde (PubChem CID 57352082) has the molecular formula C10H4Cl2O3 and a molecular weight of 243.04 g/mol. Its IUPAC name is 6,7-dichloro-4-oxochromene-3-carbaldehyde.

Molecular Properties

Compound Name6,7-dichloro-4-oxochromene-3-carbaldehyde
PubChem CID57352082
Molecular FormulaC10H4Cl2O3
Molecular Weight243.04 g/mol
Exact Mass241.95
IUPAC Name6,7-dichloro-4-oxochromene-3-carbaldehyde
SMILESO=Cc1coc2cc(Cl)c(Cl)cc2c1=O
InChIInChI=1S/C10H4Cl2O3/c11-7-1-6-9(2-8(7)12)15-4-5(3-13)10(6)14/h1-4H
InChIKeyOBLBAQQFHGLLIP-UHFFFAOYSA-N
XLogP2.91
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-oxochromene-3-carbaldehyde?
The IUPAC name of 6,7-dichloro-4-oxochromene-3-carbaldehyde (CID 57352082) is 6,7-dichloro-4-oxochromene-3-carbaldehyde.
What is the SMILES notation for 6,7-dichloro-4-oxochromene-3-carbaldehyde?
The canonical SMILES for 6,7-dichloro-4-oxochromene-3-carbaldehyde is O=Cc1coc2cc(Cl)c(Cl)cc2c1=O.
What is the InChIKey of 6,7-dichloro-4-oxochromene-3-carbaldehyde?
The InChIKey is OBLBAQQFHGLLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2O3/c11-7-1-6-9(2-8(7)12)15-4-5(3-13)10(6)14/h1-4H.
What are the key properties of 6,7-dichloro-4-oxochromene-3-carbaldehyde?
6,7-dichloro-4-oxochromene-3-carbaldehyde has a molecular weight of 243.04 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-oxochromene-3-carbaldehyde is sourced from PubChem (CID 57352082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).