Chemical Properties of 6-Chlorocoumarin (CAS 2051-59-4)

InChI

InChI=1S/C9H5ClO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H

InChI Key

AMQSYJCKXPUEDR-UHFFFAOYSA-N

Formula

C9H5ClO2

SMILES

O=c1ccc2cc(Cl)ccc2o1

Molecular Weight¹

180.59

CAS

2051-59-4

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-7.12		Crippen Calculated Property
logPoct/wat	2.446		Crippen Calculated Property
McVol	118.430	ml/mol	McGowan Calculated Property
Inp	[1578.00; 1652.00]
Inp	1578.00		NIST
Inp	1599.00		NIST
Inp	1607.00		NIST
Inp	1639.00		NIST
Inp	1652.00		NIST

Similar Compounds

Find more compounds similar to 6-Chlorocoumarin.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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