2,4,6-Tribromophenol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as p-bromophenols. These are bromophenols carrying a iodine at the C4 position of the benzene ring.

P-bromophenols

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenols and derivatives

Calculated Property

kind Value Source
logP 4.2 ALOGPS
logS -3.8 ALOGPS
Water Solubility 5.45e-02 g/l ALOGPS
logP 3.98 ChemAxon
IUPAC Name 2,4,6-tribromophenol ChemAxon
Traditional IUPAC Name 2,4,6-tribromophenol ChemAxon
Molecular Weight 330.799 ChemAxon
Monoisotopic Weight 327.773402659 ChemAxon
SMILES OC1=C(Br)C=C(Br)C=C1Br ChemAxon
Molecular Formula C6H3Br3O ChemAxon
InChI InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H ChemAxon
InChIKey InChIKey=BSWWXRFVMJHFBN-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 20.23 ChemAxon
Refractivity 50.91 ChemAxon
Polarizability 19.92 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 6.34 ChemAxon
pKa (strongest basic) -7.7 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon