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Chemical structure of 4-Bromo-3-hydroxybenzoic acid

GC39473

4-Bromo-3-hydroxybenzoic acid

Also known as 4-bromo-3-hydroxybenzoic acid

4-Bromo-3-hydroxybenzoic acid is a metabolite of Brocresine and a histidine decarboxylase (HDC) inhibitor with IC50s of 1 mM for both rat fetal and rat gastric HDC

ChemicalCAS14348-38-0MW217.02FormulaC7H5BrO3
CAS number
14348-38-0
Molecular weight
217.02
Formula
C7H5BrO3
Solubility
DMSO ： 100 mg/mL (460·79 mM; Need ultrasonic)
InChIKey
PAJSESFUWIYFNF-UHFFFAOYSA-N
Catalogue number
GC39473
Brand
GLPBIO
Computed properties PubChem CID 6420973 · XLogP 2.2 · TPSA 57.5 Ų · H-bond donors 2
XLogP
2.2
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

SMILES C1=CC(=C(C=C1C(=O)O)O)Br

Computed descriptors from PubChem (CID 6420973), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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