2-Chloro-4-hydroxybenzoic Acid Hydrate - CAS 440123-65-9
Catalog: |
BB025512 |
Product Name: |
2-Chloro-4-hydroxybenzoic Acid Hydrate |
CAS: |
440123-65-9 |
Synonyms: |
2-chloro-4-hydroxybenzoic acid;hydrate; 2-chloro-4-hydroxybenzoic acid;hydrate |
IUPAC Name: | 2-chloro-4-hydroxybenzoic acid;hydrate |
Description: | 2-Chloro-4-hydroxybenzoic Acidis a benzoic acid derivative used in the preparation of selective 5-HT2C receptor agonists. |
Molecular Weight: | 190.58 |
Molecular Formula: | C7H7ClO4 |
Canonical SMILES: | C1=CC(=C(C=C1O)Cl)C(=O)O.O |
InChI: | InChI=1S/C7H5ClO3.H2O/c8-6-3-4(9)1-2-5(6)7(10)11;/h1-3,9H,(H,10,11);1H2 |
InChI Key: | LVNLXWMDILTYQC-UHFFFAOYSA-N |
LogP: | 1.67950 |
Publication Number | Title | Priority Date |
EP-2421835-A1 | N-pyrazolyl carboxamides as crac channel inhibitors | 20090424 |
JP-2012524755-A | N-pyrazolyl carboxamides as CRAC channel inhibitors | 20090424 |
US-2010273744-A1 | Compounds | 20090424 |
US-2012053150-A1 | N-pyrazolyl carboxamides as crac channel inihibitors | 20090424 |
US-8399436-B2 | N-pyrazolyl carboxamides as CRAC channel inhibitors | 20090424 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.0032864 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.0032864 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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