5-Chloro-1-methylpyrazole-4-carboxylic Acid - CAS 54367-66-7
Catalog: |
BB028617 |
Product Name: |
5-Chloro-1-methylpyrazole-4-carboxylic Acid |
CAS: |
54367-66-7 |
Synonyms: |
5-chloro-1-methyl-4-pyrazolecarboxylic acid; 5-chloro-1-methylpyrazole-4-carboxylic acid |
IUPAC Name: | 5-chloro-1-methylpyrazole-4-carboxylic acid |
Description: | 5-Chloro-1-methylpyrazole-4-carboxylic Acid (CAS# 54367-66-7) is a useful research chemical. |
Molecular Weight: | 160.56 |
Molecular Formula: | C5H5ClN2O2 |
Canonical SMILES: | CN1C(=C(C=N1)C(=O)O)Cl |
InChI: | InChI=1S/C5H5ClN2O2/c1-8-4(6)3(2-7-8)5(9)10/h2H,1H3,(H,9,10) |
InChI Key: | SDYOVMHXYNKROV-UHFFFAOYSA-N |
Boiling Point: | 315.8 °C at 760 mmHg |
Density: | 1.56 g/cm3 |
LogP: | 0.77170 |
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 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
US-2020102311-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
TW-202035409-A | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 153 |
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: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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