6-chloro-2-oxochromene-3-carbonyl chloride

C10H4Cl2O3 — CID 46779222

IUPAC6-chloro-2-oxochromene-3-carbonyl chloride
SMILESO=C(Cl)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C10H4Cl2O3/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H
InChIKeyRLMRYRFPMMGSAT-UHFFFAOYSA-N
MW243.04 g/mol
LogP2.83
Rot. Bonds1

About 6-chloro-2-oxochromene-3-carbonyl chloride

6-chloro-2-oxochromene-3-carbonyl chloride (PubChem CID 46779222) has the molecular formula C10H4Cl2O3 and a molecular weight of 243.04 g/mol. Its IUPAC name is 6-chloro-2-oxochromene-3-carbonyl chloride.

Molecular Properties

Compound Name6-chloro-2-oxochromene-3-carbonyl chloride
PubChem CID46779222
Molecular FormulaC10H4Cl2O3
Molecular Weight243.04 g/mol
Exact Mass241.95
IUPAC Name6-chloro-2-oxochromene-3-carbonyl chloride
SMILESO=C(Cl)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C10H4Cl2O3/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H
InChIKeyRLMRYRFPMMGSAT-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxochromene-3-carbonyl chloride?
The IUPAC name of 6-chloro-2-oxochromene-3-carbonyl chloride (CID 46779222) is 6-chloro-2-oxochromene-3-carbonyl chloride.
What is the SMILES notation for 6-chloro-2-oxochromene-3-carbonyl chloride?
The canonical SMILES for 6-chloro-2-oxochromene-3-carbonyl chloride is O=C(Cl)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-2-oxochromene-3-carbonyl chloride?
The InChIKey is RLMRYRFPMMGSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2O3/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H.
What are the key properties of 6-chloro-2-oxochromene-3-carbonyl chloride?
6-chloro-2-oxochromene-3-carbonyl chloride has a molecular weight of 243.04 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxochromene-3-carbonyl chloride is sourced from PubChem (CID 46779222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).