3-Chlorosalicylic acid - CAS 1829-32-9
Catalog: |
BB014024 |
Product Name: |
3-Chlorosalicylic acid |
CAS: |
1829-32-9 |
Synonyms: |
3-chloro-2-hydroxybenzoic acid |
IUPAC Name: | 3-chloro-2-hydroxybenzoic acid |
Description: | 3-Chlorosalicylic acid (CAS# 1829-32-9) is a compound useful in organic synthesis. |
Molecular Weight: | 172.57 |
Molecular Formula: | C7H5ClO3 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)O)C(=O)O |
InChI: | InChI=1S/C7H5ClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11) |
InChI Key: | PPINMMULCRBDOS-UHFFFAOYSA-N |
Boiling Point: | 291.7 °C at 760 mmHg |
Density: | 1.536 g/cm3 |
MDL: | MFCD00010390 |
LogP: | 1.74380 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
CZ-33421-U1 | Polymeric additive with antimicrobial properties, especially water-soluble dispersion paints | 20191022 |
US-2020368256-A1 | Treatment for Bacterial Infections | 20190523 |
WO-2020227097-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
US-2020284277-A1 | Drag Reducing Agents and Methods of Using Thereof | 20190305 |
PMID | Publication Date | Title | Journal |
22438756 | 20120101 | Waveguide-mode sensors as aptasensors | Sensors (Basel, Switzerland) |
21836855 | 20110701 | Aqua-bis-(4-chloro-2-hy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')zinc(II) | Acta crystallographica. Section E, Structure reports online |
20850205 | 20101101 | Structure-based optimization and biological evaluation of human 20α-hydroxysteroid dehydrogenase (AKR1C1) salicylic acid-based inhibitors | European journal of medicinal chemistry |
18221309 | 20080201 | Topliss method in the optimization of salicylic Acid derivatives as potential antimycobacterial agents | Chemical biology & drug design |
16332130 | 20051214 | Salicylate activity. 3. Structure relationship to systemic acquired resistance | Journal of agricultural and food chemistry |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.9927217 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.9927217 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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