3-Bromo-4-hydroxybenzoic acid
C₇H₅BrO₃·217.020 g/mol·CID 84368
IUPAC: 3-bromo-4-hydroxybenzoic acid
Also known as: 14348-41-5, EINECS 238-299-7, CHEBI:140241, DTXSID90931899, RefChem:93166 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
217.020g/mol
Exact Mass
215.942210Da
Monoisotopic Mass
215.942210Da
XLogP
2.1
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
✓ 2.1
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H302Harmful if swallowedH318Causes serious eye damage
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
Isomers8 compounds with formula C₇H₅BrO₃
5-bromo-2-hydroxybenzoic acid
CID 6972 · 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