Compound C22H14Br2O5

4',5'-dibromo-3',6'-dihydroxy-2',7'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one

CAS: 6627-40-3

Molecular Formula	`C22H14Br2O5`
Molecular Weight	518.1 g/mol
LogP	5.5
Topological Polar Surface Area	76.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	0
Exact Mass	517.91876
Heavy Atoms	29
Complexity	640.0

Chemical Identifiers

CAS Number	6627-40-3
SMILES	`CC1=CC2=C(C(=C1O)Br)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=C(C(=C3Br)O)C`
InChIKey	`KCHVZEAMZOXQJI-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H14Br2O5 (CAS: 6627-40-3) is a chemical compound with molecular formula C22H14Br2O5 and molecular weight 518.1 g/mol. Its IUPAC systematic name is 4',5'-dibromo-3',6'-dihydroxy-2',7'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one. LogP 5.5 Topological Polar Surface Area 76.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 0 Exact Mass 517.91876 Heavy Atoms 29 Complexity 640.0 InChI Key: KCHVZEAMZOXQJI-UHFFFAOYSA-N. SMILES: CC1=CC2=C(C(=C1O)Br)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=C(C(=C3Br)O)C.

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