5-Bromosalicylic acid
C₇H₅BrO₃·217.020 g/mol·CID 6972
IUPAC: 5-bromo-2-hydroxybenzoic acid
Also known as: 5-Bromo-2-hydroxybenzoic acid, 89-55-4, Benzoic acid, 5-bromo-2-hydroxy-, 5-bromo-2-hydroxy-benzoic acid, 2-Hydroxy-5-bromobenzoic acid (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
217.020g/mol
Exact Mass
215.942210Da
Monoisotopic Mass
215.942210Da
XLogP
3.2
Polar Surface Area
57.5Ų
Complexity
160
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
1
Heavy Atoms
11
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 217.0 g/mol
MW ≤ 500
✓ 3.2
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C7H5BrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
Isomers8 compounds with formula C₇H₅BrO₃
3-bromo-4-hydroxybenzoic acid
CID 84368 · 217.0 g/mol
3-bromo-4,5-dihydroxybenzaldehyde
CID 85405 · 217.0 g/mol
4-bromo-2-hydroxybenzoic acid
CID 268737 · 217.0 g/mol
3-bromo-2-hydroxybenzoic acid
CID 520927 · 217.0 g/mol
(E)-3-(5-bromofuran-2-yl)prop-2-enoic acid
CID 946089 · 217.0 g/mol
3-bromo-5-hydroxybenzoic acid
CID 15735511 · 217.0 g/mol
6-bromo-1,3-benzodioxol-5-ol
CID 229148 · 217.0 g/mol
4-bromo-3-hydroxybenzoic acid
CID 6420973 · 217.0 g/mol