2,5,6-Trichloronicotinic Acid - CAS 54718-39-7
Catalog: |
BB028802 |
Product Name: |
2,5,6-Trichloronicotinic Acid |
CAS: |
54718-39-7 |
Synonyms: |
2,5,6-trichloro-3-pyridinecarboxylic acid; 2,5,6-trichloropyridine-3-carboxylic acid |
IUPAC Name: | 2,5,6-trichloropyridine-3-carboxylic acid |
Description: | 2,5,6-Trichloronicotinic Acid (CAS# 54718-39-7) is a useful research chemical. |
Molecular Weight: | 226.44 |
Molecular Formula: | C6H2Cl3NO2 |
Canonical SMILES: | C1=C(C(=NC(=C1Cl)Cl)Cl)C(=O)O |
InChI: | InChI=1S/C6H2Cl3NO2/c7-3-1-2(6(11)12)4(8)10-5(3)9/h1H,(H,11,12) |
InChI Key: | XMJRZCYSCMZVJQ-UHFFFAOYSA-N |
Boiling Point: | 359.1 °C at 760 mmHg |
Density: | 1.728 g/cm3 |
LogP: | 2.74000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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 |
CN-112280025-A | High-stability quantum dot hybrid nanostructure, QLED device and preparation method thereof | 20201230 |
CN-112280025-B | High-stability quantum dot hybrid nanostructure, QLED device and preparation method thereof | 20201230 |
CN-112574199-A | Heterocyclic compounds as Kras-G12C inhibitors | 20200520 |
CN-112574199-B | Heterocyclic compounds as Kras-G12C inhibitors | 20200520 |
WO-2021178420-A1 | Compounds targeting rna-binding proteins or rna-modifying proteins | 20200303 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.915111 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.915111 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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