AC1NC6QX structure

AC1NC6QX

2-chloro-5-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid

Also Known As: 2-CHLORO-5-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID|2-chloro-5-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoylamino]benzoic Acid|2-chloro-5-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid|2-Chloro-5-[[[(3,5-dibromo-2-methoxybenzoyl)amino]thioxomethyl]amino]-benzoic acid

CAS: 536982-60-2
Molecular Formula C16H11Br2ClN2O4S
Molecular Weight 519.8495 g/mol
LogP 4.6986
Topological Polar Surface Area 87.66 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 519.8495
Monoisotopic Mass 521.8474
Heavy Atoms 26
Complexity 908.0588

Chemical Identifiers

CAS Number 536982-60-2
SMILES COC1=C(C=C(C=C1Br)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O

Product Overview

AC1NC6QX (CAS 536982-60-2), with molecular formula C16H11Br2ClN2O4S and molecular weight 519.8495 g/mol. IUPAC: 2-chloro-5-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]benzoic 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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