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5-Chloro-2-hydroxybenzoic acid

CAT: 0931-TYD-00792-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00792-01Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
321-14-2
Bioactivity
5-Chloro-2-hydroxybenzoic acid (5-Chlorosalicylic acid; 5-Chloro-2-hydroxybenzoic acid) serves as a biomaterial or organic compound suitable for life science research.
Smiles
O=C(O)C1=CC(Cl)=CC=C1O
Molecular Formula
C7H5ClO3
Molecular Weight
172.566
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Chlorosalicylic Acid

5-chlorosalicylic acid is a monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine. It is a chlorobenzoic acid, a monohydroxybenzoic acid and a member of monochlorobenzenes. It is functionally related to a benzoic acid. It is a conjugate acid of a 5-chlorosalicylate.

CAS Number321-14-2
PubChem CID9447
IUPAC Name5-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)C(=O)O)O
InChI
InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey
NKBASRXWGAGQDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chlorosalicylic Acid
CAS: 321-14-2
CID: 9447
Formula: C7H5ClO3
MW: 172.56
Interactive 3D Structure
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View on PubChemRaw 3D data
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

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