4,9-dibromo-3,7,8,10-tetramethoxy-1-methylbenzo[b]xanthene-6,11,12-trione

CAS: 33390-35-1

Molecular Formula	`C22H16Br2O8`
Molecular Weight	568.2 g/mol
LogP	4.5
Topological Polar Surface Area	97.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	567.9191
Heavy Atoms	32
Complexity	844.0

Chemical Identifiers

CAS Number	33390-35-1
SMILES	`CC1=CC(=C(C2=C1C(=O)C3=C(O2)C(=O)C4=C(C3=O)C(=C(C(=C4OC)OC)Br)OC)Br)OC`
InChIKey	`NYJWHVQPDBSBFA-UHFFFAOYSA-N`

📖 Product Overview

4,9-dibromo-3,7,8,10-tetramethoxy-1-methylbenzo[b]xanthene-6,11,12-trione (CAS: 33390-35-1) is a chemical compound with molecular formula C22H16Br2O8 and molecular weight 568.2 g/mol. Its IUPAC systematic name is 4,9-dibromo-3,7,8,10-tetramethoxy-1-methylbenzo[b]xanthene-6,11,12-trione. LogP 4.5 Topological Polar Surface Area 97.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 567.9191 Heavy Atoms 32 Complexity 844.0 InChI Key: NYJWHVQPDBSBFA-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C2=C1C(=O)C3=C(O2)C(=O)C4=C(C3=O)C(=C(C(=C4OC)OC)Br)OC)Br)OC.

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