AG001VPR

161583-75-1 | Phosphonic acid, P-[2,2':6',2''-terpyridin]-4'-yl-, diethyl ester

AG001VPR

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CAS Number	161583-75-1
Catalog Number	AG001VPR(AGN-PC-0WD3WF)
Chemical Name	Phosphonic acid, P-[2,2':6',2''-terpyridin]-4'-yl-, diethyl ester
IUPAC Name	4-diethoxyphosphoryl-2,6-dipyridin-2-ylpyridine
InChI	InChI=1S/C19H20N3O3P/c1-3-24-26(23,25-4-2)15-13-18(16-9-5-7-11-20-16)22-19(14-15)17-10-6-8-12-21-17/h5-14H,3-4H2,1-2H3
InChI Key	MDIMWBGOUZAXEP-UHFFFAOYSA-N
MDL Number	MFCD11042551
Molecular Formula	C19H20N3O3P
Molecular Weight	369.3542
SMILES	O=P(C1=CC(C2=NC=CC=C2)=NC(C3=NC=CC=C3)=C1)(OCC)OCC
Synonyms	161583-75-1, Diethyl [2,2':6',2''-terpyridin]-4'-ylphosphonate, Diethyl 2,2':6',2''-terpyridine-4'-phosphonate, C19H20N3O3P, CTK8H1497, DTXSID80745422, MFCD11042551, ZINC35654120, AKOS022174888, AJ-92047, AX8282318, D4511, Y7712, 4-diethoxyphosphoryl-2,6-dipyridin-2-ylpyridine, 4'-(Diethoxyphosphinyl)-2,2':6',2''-terpyridine, W-205879, 2,2':6',2''-Terpyridine-4'-phosphonic Acid Diethyl Ester, Diethyl [1~2~,2~2~:2~6~,3~2~-terpyridin]-2~4~-ylphosphonate, Diethyl 2,2/':6/',2/'/'-terpyridine-4/'-phosphonate,

Complexity	443
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	369.124g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	369.361g/mol
Monoisotopic Mass	369.124g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	74.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P302+P352-P305+P351+P338
UN Code

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