CAS 14348-40-4|2,4,6-tribromo-3-hydroxybenzoic acid|2,4,6-tribromo-3-hydroxybenzoic acid|3-Hydroxy-2,4,6-tribromobenzoic acid|3-羟基-2,4,6-三溴苯甲酸|2,4,6-Tribromo-3-hydroxybenzoic acid|3-Hydroxy-2...

General Information

Structure

Molecular Formula

C₇H₃Br₃O₃

Molecular Mass

374.80892

Exact Mass

371.76322996

Charge

InChI

InChI=1S/C7H3Br3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)

InChIKey

YDBHVMTTYXWHLI-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1c(Br)cc(c(c1Br)O)Br

Isomeric Smiles

c1(c(c(c(cc1Br)Br)O)Br)C(=O)O

Calculated Properties

JChem

Acid pKa

2.1458478

H Acceptors

H Donor

LogD (pH = 5.5)

0.45474893

LogD (pH = 7.4)

-0.8688407

Log P

3.6335213

Molar Refractivity

58.1635

Polarizability

22.72298

Polar Surface Area

57.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2,4,6-tribromo-3-hydroxybenzoic acid

IUPAC name

2,4,6-tribromo-3-hydroxybenzoic acid

Synonyms

3-Hydroxy-2,4,6-tribromobenzoic acid3-羟基-2,4,6-三溴苯甲酸2,4,6-Tribromo-3-hydroxybenzoic acid3-Hydroxy-2,4,6-tribromobenzoic acid2,4,6-三溴-3-羟基苯甲酸3-Hydroxy-2,4,6-tribromobenzoic acid2,4,6-Tribromo-3-hydroxybenzoic acid2,4,6-Tribromo-3-hydroxybenzoic acid3-羟基-2,4,6-三溴苯甲酸

Names and Identifiers

Registration numbers

Beilstein Number

MDL Number

CAS Number

PubChem CID

PubChem SID