4-Chloro-1H-pyrazole-3-carboxylic acid - CAS 84547-87-5
Catalog: |
BB037234 |
Product Name: |
4-Chloro-1H-pyrazole-3-carboxylic acid |
CAS: |
84547-87-5 |
Synonyms: |
4-chloro-1H-pyrazole-5-carboxylic acid |
IUPAC Name: | 4-chloro-1H-pyrazole-5-carboxylic acid |
Description: | 4-Chloro-1H-pyrazole-3-carboxylic acid (CAS# 84547-87-5) is a useful research chemical. |
Molecular Weight: | 146.53 |
Molecular Formula: | C4H3ClN2O2 |
Canonical SMILES: | C1=NNC(=C1Cl)C(=O)O |
InChI: | InChI=1S/C4H3ClN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9) |
InChI Key: | ZOLUACWHRMUETA-UHFFFAOYSA-N |
Boiling Point: | 389.8 °C at 760 mmHg |
Density: | 1.714 g/cm3 |
MDL: | MFCD01459881 |
LogP: | 0.76130 |
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 |
AU-2018271876-A1 | Pyrazole MAGL inhibitors | 20170523 |
CA-3063993-A1 | Pyrazole magl inhibitors | 20170523 |
CN-110678456-A | Pyrazole MAGL inhibitors | 20170523 |
EP-3630744-A1 | Pyrazole magl inhibitors | 20170523 |
KR-20200010327-A | Pyrazole MAGL Inhibitors | 20170523 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.9883050 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.9883050 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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