3-chloronaphthalene-2-carbonyl chloride

C11H6Cl2O — CID 87801821

IUPAC3-chloronaphthalene-2-carbonyl chloride
SMILESO=C(Cl)c1cc2ccccc2cc1Cl
InChIInChI=1S/C11H6Cl2O/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H
InChIKeyLTZSHYUIRXPFGC-UHFFFAOYSA-N
MW225.07 g/mol
LogP3.87
Rot. Bonds1

About 3-chloronaphthalene-2-carbonyl chloride

3-chloronaphthalene-2-carbonyl chloride (PubChem CID 87801821) has the molecular formula C11H6Cl2O and a molecular weight of 225.07 g/mol. Its IUPAC name is 3-chloronaphthalene-2-carbonyl chloride.

Molecular Properties

Compound Name3-chloronaphthalene-2-carbonyl chloride
PubChem CID87801821
Molecular FormulaC11H6Cl2O
Molecular Weight225.07 g/mol
Exact Mass223.98
IUPAC Name3-chloronaphthalene-2-carbonyl chloride
SMILESO=C(Cl)c1cc2ccccc2cc1Cl
InChIInChI=1S/C11H6Cl2O/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H
InChIKeyLTZSHYUIRXPFGC-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloronaphthalene-2-carbonyl chloride?
The IUPAC name of 3-chloronaphthalene-2-carbonyl chloride (CID 87801821) is 3-chloronaphthalene-2-carbonyl chloride.
What is the SMILES notation for 3-chloronaphthalene-2-carbonyl chloride?
The canonical SMILES for 3-chloronaphthalene-2-carbonyl chloride is O=C(Cl)c1cc2ccccc2cc1Cl.
What is the InChIKey of 3-chloronaphthalene-2-carbonyl chloride?
The InChIKey is LTZSHYUIRXPFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2O/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H.
What are the key properties of 3-chloronaphthalene-2-carbonyl chloride?
3-chloronaphthalene-2-carbonyl chloride has a molecular weight of 225.07 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloronaphthalene-2-carbonyl chloride is sourced from PubChem (CID 87801821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).