3-Bromo-2-hydroxybenzoic acid
C₇H₅BrO₃·217.020 g/mol·CID 520927
IUPAC: 3-bromo-2-hydroxybenzoic acid
Also known as: 3883-95-2, 3-bromosalicylic acid, DTXSID20334495, RefChem:498469, DTXCID30285585 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
217.020g/mol
Exact Mass
215.942210Da
Monoisotopic Mass
215.942210Da
XLogP
2.2
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
✓ 2.2
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/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)