AC1M3O1I structure

AC1M3O1I

2-[2-bromo-6-methoxy-4-[(Z)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid

Also Known As: (2-bromo-6-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid|(Z)-2-(2-bromo-6-methoxy-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid|2-[2-bromo-6-methoxy-4-[(Z)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid

CAS: 347394-39-2
Molecular Formula C21H17BrN2O7
Molecular Weight 488.0219 g/mol
LogP 2.89592
Topological Polar Surface Area 122.24 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 488.0219
Monoisotopic Mass 488.0219
Heavy Atoms 31
Complexity 1126.7065

Chemical Identifiers

CAS Number 347394-39-2
SMILES CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC(=C(C(=C3)Br)OCC(=O)O)OC)/C(=O)NC2=O

Product Overview

AC1M3O1I (CAS 347394-39-2), with molecular formula C21H17BrN2O7 and molecular weight 488.0219 g/mol. IUPAC: 2-[2-bromo-6-methoxy-4-[(Z)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]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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