AC1LQEOJ structure

AC1LQEOJ

2-[3-[(Z)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid

Also Known As: A3582/0152031|(3-{(Z)-[1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetic acid|(Z)-2-(3-((1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)acetic acid|(3-{(Z)-[1-(3-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetic acid|2-(3-{[1-(3-BROMOPHENYL)-2,4,6-TRIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDEN]METHYL}-1H-INDOL-1-YL)ACETIC ACID|2-[3-[(Z)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid

CAS: 593271-77-3
Molecular Formula C21H14BrN3O5
Molecular Weight 467.0117 g/mol
LogP 3.1548
Topological Polar Surface Area 108.71 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 467.0117
Monoisotopic Mass 467.0117
Heavy Atoms 30
Complexity 1260.5153

Chemical Identifiers

CAS Number 593271-77-3
SMILES C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Br

Product Overview

AC1LQEOJ (CAS 593271-77-3), with molecular formula C21H14BrN3O5 and molecular weight 467.0117 g/mol. IUPAC: 2-[3-[(Z)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid.

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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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