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Diethyl 2-Chlorobenzylphosphonate

Diethyl 2-Chlorobenzylphosphonate - CAS 29074-98-4

Catalog:	BB020082
Product Name:	Diethyl 2-Chlorobenzylphosphonate
CAS:	29074-98-4
Synonyms:	1-chloro-2-(diethoxyphosphorylmethyl)benzene; 1-chloro-2-(diethoxyphosphorylmethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-2-(diethoxyphosphorylmethyl)benzene
Description:	Diethyl 2-Chlorobenzylphosphonate (CAS# 29074-98-4) is a useful research chemical.
Molecular Weight:	262.67
Molecular Formula:	C11H16ClO3P
Canonical SMILES:	CCOP(=O)(CC1=CC=CC=C1Cl)OCC
InChI:	InChI=1S/C11H16ClO3P/c1-3-14-16(13,15-4-2)9-10-7-5-6-8-11(10)12/h5-8H,3-4,9H2,1-2H3
InChI Key:	GKGLKJMZAVRUQO-UHFFFAOYSA-N
LogP:	4.10610

Publication Number	Title	Priority Date
CN-107709314-A	Efflux pump inhibitor and its therapeutic use	20150611
EP-3131145-A1	Polymer electrolyte composition and polymer electrolyte membrane, membrane-electrolyte assembly, and solid polymer fuel cell using same	20140407
EP-3131145-B1	Polymer electrolyte composition and polymer electrolyte membrane, membrane-electrolyte assembly, and solid polymer fuel cell using same	20140407
US-2013310558-A1	Synthesis, structure and use of functionalized naphthalenes	20120516
US-2013315841-A1	Functionalized naphthalene fluorophores	20120516

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Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.0525591
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	262.0525591
Rotatable Bond Count:	6
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3