2-Chloro-6-ethylquinoline-3-carboxaldehyde - CAS 436088-07-2
Catalog: |
BB025431 |
Product Name: |
2-Chloro-6-ethylquinoline-3-carboxaldehyde |
CAS: |
436088-07-2 |
Synonyms: |
2-chloro-6-ethylquinoline-3-carbaldehyde |
IUPAC Name: | 2-chloro-6-ethylquinoline-3-carbaldehyde |
Description: | 2-Chloro-6-ethylquinoline-3-carboxaldehyde (CAS# 436088-07-2) is a useful research chemical. |
Molecular Weight: | 219.67 |
Molecular Formula: | C12H10ClNO |
Canonical SMILES: | CCC1=CC2=CC(=C(N=C2C=C1)Cl)C=O |
InChI: | InChI=1S/C12H10ClNO/c1-2-8-3-4-11-9(5-8)6-10(7-15)12(13)14-11/h3-7H,2H2,1H3 |
InChI Key: | LZEZPJQSBFVYGR-UHFFFAOYSA-N |
Boiling Point: | 360.3 °C at 760 mmHg |
Density: | 1.268 g/cm3 |
LogP: | 3.26310 |
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 |
RU-2284325-C2 | Derivatives of phenyl-3-aminomethylquinolone-2 as inhibitors of no-synthase, method for their preparing, biologically active compounds and pharmaceutical composition based on thereof | 20031217 |
RU-2267485-C2 | Derivatives of 3-aminomethylquinolone-2 as inhibitors of no-synthetase and method for their preparing, biologically active compounds and pharmaceutical composition based on thereof | 20031007 |
Complexity: | 234 |
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: | 2 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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Quinoline/Isoquinoline
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