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14348-39-1 molecular structure
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2,4-dibromo-5-hydroxybenzoic acid

ChemBase ID: 289885
Molecular Formular: C7H4Br2O3
Molecular Mass: 295.91286
Monoisotopic Mass: 293.85271799
SMILES and InChIs

SMILES:
O=C(O)c1cc(O)c(Br)cc1Br
Canonical SMILES:
OC(=O)c1cc(O)c(cc1Br)Br
InChI:
InChI=1S/C7H4Br2O3/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2,10H,(H,11,12)
InChIKey:
ZWIBWIKYYVVCLB-UHFFFAOYSA-N

Cite this record

CBID:289885 http://www.chembase.cn/molecule-289885.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dibromo-5-hydroxybenzoic acid
IUPAC Traditional name
2,4-dibromo-5-hydroxybenzoic acid
Synonyms
2,4-Dibromo-5-hydroxybenzoic acid
CAS Number
14348-39-1
PubChem SID
180675416
PubChem CID
53440710

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD226658 Please log in.
Data Source Data ID
PubChem 53440710 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.9861531  H Acceptors
H Donor LogD (pH = 5.5) 0.38731614 
LogD (pH = 7.4) -0.7682091  Log P 2.8647687 
Molar Refractivity 50.5407 cm3 Polarizability 19.484682 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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