AC1NPI0E structure

AC1NPI0E

[4-[[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-fluorobenzoate

Also Known As: 4-({2-[2-Benzamido-3-(2H-1,3-benzodioxol-5-yl)acryloyl]hydrazinylidene}methyl)-2-ethoxyphenyl 4-fluorobenzoate|[4-[[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-fluorobenzoate|4-({2-[2-Benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-ethoxyphenyl 4-fluorobenzoate

CAS: 5845-01-2
Molecular Formula C33H26FN3O7
Molecular Weight 595.1755 g/mol
LogP 5.0935
Topological Polar Surface Area 124.55 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
Rotatable Bonds 10
Exact Mass 595.1755
Monoisotopic Mass 595.1755
Heavy Atoms 44
Complexity 1738.5056

Chemical Identifiers

CAS Number 5845-01-2
SMILES CCOC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)F

Product Overview

AC1NPI0E (CAS 5845-01-2), with molecular formula C33H26FN3O7 and molecular weight 595.1755 g/mol. IUPAC: [4-[[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-fluorobenzoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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