1,4-Bis[bis(diethoxyphosphoryl)methyl]benzene - CAS 108928-87-6

Name: 1,4-Bis[bis(diethoxyphosphoryl)methyl]benzene
Brand: BOC Sciences
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Catalog:	BB043043
Product Name:	1,4-Bis[bis(diethoxyphosphoryl)methyl]benzene
CAS:	108928-87-6
Synonyms:	Octaethyl 1,4-phenylenebis(methylidyne)tetrakis(phosphonate); Phosphonic acid, P,P',P'',P'''-[(1,4-phenylene)bis(methylidyne)]tetrakis-, P,P,P',P',P'',P'',P''',P'''-octaethyl ester; Phosphonic acid, (1,4-phenylenedimethylidyne)tetrakis-, octaethyl ester

Technical Data

IUPAC Name:	1,4-bis[bis(diethoxyphosphoryl)methyl]benzene
Description:	1,4-Bis[bis(diethoxyphosphoryl)methyl]benzene (CAS# 108928-87-6 ) is a useful research chemical.
Molecular Weight:	650.51
Molecular Formula:	C24H46O12P4
Canonical SMILES:	CCOP(=O)(C(C1=CC=C(C=C1)C(P(=O)(OCC)OCC)P(=O)(OCC)OCC)P(=O)(OCC)OCC)OCC
InChI:	InChI=1S/C24H46O12P4/c1-9-29-37(25,30-10-2)23(38(26,31-11-3)32-12-4)21-17-19-22(20-18-21)24(39(27,33-13-5)34-14-6)40(28,35-15-7)36-16-8/h17-20,23-24H,9-16H2,1-8H3
InChI Key:	PAGJRNPNWWMVNT-UHFFFAOYSA-N

Complexity:	736
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	650.19397489
Formal Charge:	0
Heavy Atom Count:	40
Hydrogen Bond Acceptor Count:	12
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	650.19397489
Rotatable Bond Count:	22
Topological Polar Surface Area:	142
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7