2-(2-Chloroethoxy)ethylphosphonic acid

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Molecular Formula:

C4H10ClO4P

Molecular Weight:

188.55

CAS Number:

69404-51-9

Catalog Number:

69404-51-9

Product Information

Molecular Formula:

C4H10ClO4P

Molecular Weight:

188.55

Description

2-(2-chloroethoxy)ethylphosphonic acid is used in biological study for studying the composition of technical ethephon.

Synonyms

[2-(2-Chloroethoxy)ethyl]phosphonic acid; BBL102512; STL556315

IUPAC Name

2-(2-chloroethoxy)ethylphosphonic acid

Canonical SMILES

C(CP(=O)(O)O)OCCCl

InChI

InChI=1S/C4H10ClO4P/c5-1-2-9-3-4-10(6,7)8/h1-4H2,(H2,6,7,8)

InChI Key

CYHFEXYPIFCIFR-UHFFFAOYSA-N

Computed Properties

XLogP3

-1.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

188.0005235 g/mol

Monoisotopic Mass

188.0005235 g/mol

Topological Polar Surface Area

66.8Å²

Heavy Atom Count

Formal Charge

Complexity

122

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Concentration _(final)

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2-(2-Chloroethoxy)ethylphosphonic acid

Product Information

Computed Properties

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