Tetrabromophenol blue

2,6-dibromo-4-[4,5,6,7-tetrabromo-3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol

CAS: 4430-25-5

Molecular Formula	`C19H6Br8O5S`
Molecular Weight	985.5 g/mol
LogP	8.8
Topological Polar Surface Area	92.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	985.3321
Heavy Atoms	33
Complexity	791.0

Chemical Identifiers

CAS Number	4430-25-5
SMILES	`C1=C(C=C(C(=C1Br)O)Br)C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)O2)C4=CC(=C(C(=C4)Br)O)Br`
InChIKey	`QPMIVFWZGPTDPN-UHFFFAOYSA-N`

📖 Product Overview

Tetrabromophenol blue (CAS: 4430-25-5) is a chemical compound with molecular formula C19H6Br8O5S and molecular weight 985.5 g/mol. Its IUPAC systematic name is 2,6-dibromo-4-[4,5,6,7-tetrabromo-3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol. LogP 8.8 Topological Polar Surface Area 92.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 985.3321 Heavy Atoms 33 Complexity 791.0 InChI Key: QPMIVFWZGPTDPN-UHFFFAOYSA-N. SMILES: C1=C(C=C(C(=C1Br)O)Br)C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)O2)C4=CC(=C(C(=C4)Br)O)Br.

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