Structure

Emitefur

CAS
110690-43-2
Catalog Number
ACM110690432
Category
Other Products
Molecular Weight
558.51
Molecular Formula
C28H19FN4O8

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Specification

Synonyms
EMITEFUR;3-[[3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrim-idinyl]carbonyl]benzoic acid 6-(benzoyloxy)- 3-cyano-2-pyridinyl ester;3-[[[3-(Ethoxymethyl)-5-fluoro-1,2,3,6-tetrahydro-2,6-dioxopyrimidin]-1-yl]carbonyl]benzoic acid 6-(benzoyloxy
IUPAC Name
(6-benzoyloxy-3-cyanopyridin-2-yl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoate
Canonical SMILES
CCOCN1C=C(C(=O)N(C1=O)C(=O)C2=CC(=CC=C2)C(=O)OC3=C(C=CC(=N3)OC(=O)C4=CC=CC=C4)C#N)F
InChI Key
WTSKMKRYHATLLL-UHFFFAOYSA-N
Boiling Point
755.1ºC at 760 mmHg
Flash Point
410.5ºC
Density
1.52 g/cm³
Exact Mass
558.11900
H-Bond Acceptor
11
H-Bond Donor
0
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