2-Chloro-5,8-dimethylquinoline-3-carboxaldehyde - CAS 323196-71-0
Catalog: |
BB021255 |
Product Name: |
2-Chloro-5,8-dimethylquinoline-3-carboxaldehyde |
CAS: |
323196-71-0 |
Synonyms: |
2-chloro-5,8-dimethylquinoline-3-carbaldehyde |
IUPAC Name: | 2-chloro-5,8-dimethylquinoline-3-carbaldehyde |
Description: | 2-Chloro-5,8-dimethylquinoline-3-carboxaldehyde (CAS# 323196-71-0) is a useful research chemical. |
Molecular Weight: | 219.67 |
Molecular Formula: | C12H10ClNO |
Canonical SMILES: | CC1=C2C=C(C(=NC2=C(C=C1)C)Cl)C=O |
InChI: | InChI=1S/C12H10ClNO/c1-7-3-4-8(2)11-10(7)5-9(6-15)12(13)14-11/h3-6H,1-2H3 |
InChI Key: | MEVWOQZZSJDOBU-UHFFFAOYSA-N |
Boiling Point: | 364.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.27 g/cm3 |
LogP: | 3.31750 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017339839-A1 | Substituted pyrrolidines as CFTR modulators | 20161007 |
BR-112019007038-A2 | substituted pyrrolidines as cftr modulators | 20161007 |
CN-110035993-A | The pyrrolidines being substituted as CFTR regulator | 20161007 |
EP-3523277-A1 | Substituted pyrrolidines as cftr modulators | 20161007 |
US-10399940-B2 | Substituted pyrrolidines and methods of use | 20161007 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.0450916 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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