Products for Research Use Only

4-Chlorosalicylic acid

CAT: 0013-GTR19161797-01Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19161797-01Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Antimicrobial compositions comprising a benzoic acid analog and a metal salt.
CAS Number
5106-98-9
Purity
>98% (HPLC)
Solubility
Limited solubility
Smiles
OC (=O) C1=C (O) C=C (Cl) C=C1
Molecular Formula
C7H5ClO3
Molecular Weight
172.57
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

4-Chlorosalicylic acid
CAS Number5106-98-9
PubChem CID78782
IUPAC Name4-chloro-2-hydroxybenzoic acid
Molecular FormulaC7H5ClO3
Molecular Weight172.56
XLogP3.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
C1=CC(=C(C=C1Cl)O)C(=O)O
InChI
InChI=1S/C7H5ClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKey
LWXFCZXRFBUOOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorosalicylic acid
CAS: 5106-98-9
CID: 78782
Formula: C7H5ClO3
MW: 172.56
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight172.56
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass171.9927217
Monoisotopic Mass171.9927217
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes