(4-chloro-pyrazol-1-yl)-acetic acid - CAS 32089-46-6
Catalog: |
BB021161 |
Product Name: |
(4-chloro-pyrazol-1-yl)-acetic acid |
CAS: |
32089-46-6 |
Synonyms: |
2-(4-chloro-1-pyrazolyl)acetic acid; 2-(4-chloropyrazol-1-yl)acetic acid |
IUPAC Name: | 2-(4-chloropyrazol-1-yl)acetic acid |
Description: | (4-chloro-pyrazol-1-yl)-acetic acid (CAS# 32089-46-6) is used to prepare bicyclic compounds for reduction of β-amyloid peptide production. |
Molecular Weight: | 160.56 |
Molecular Formula: | C5H5ClN2O2 |
Canonical SMILES: | C1=C(C=NN1CC(=O)O)Cl |
InChI: | InChI=1S/C5H5ClN2O2/c6-4-1-7-8(2-4)3-5(9)10/h1-2H,3H2,(H,9,10) |
InChI Key: | KPXIVTIAZUNIOR-UHFFFAOYSA-N |
Boiling Point: | 338.9 ℃ at 760 mmHg |
Density: | 1.54 g/cm3 |
LogP: | 0.62110 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2018051252-A2 | Novel amide compound, method for producing the same, and miticide | 20160915 |
DK-2888261-T3 | Antagonists of chemokine receptors | 20120827 |
EP-2888261-A2 | Antagonists of chemokine receptors | 20120827 |
EP-2888261-B1 | Antagonists of chemokine receptors | 20120827 |
KR-102103188-B1 | Antagonists of chemokine receptors | 20120827 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.0039551 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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