2-Chloro-6-ethoxy-3-methylquinoline - CAS 948291-66-5
Catalog: |
BB041536 |
Product Name: |
2-Chloro-6-ethoxy-3-methylquinoline |
CAS: |
948291-66-5 |
Synonyms: |
2-chloro-6-ethoxy-3-methylquinoline |
IUPAC Name: | 2-chloro-6-ethoxy-3-methylquinoline |
Description: | 2-Chloro-6-ethoxy-3-methylquinoline (CAS# 948291-66-5) is a useful research chemical. |
Molecular Weight: | 221.68 |
Molecular Formula: | C12H12ClNO |
Canonical SMILES: | CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C |
InChI: | InChI=1S/C12H12ClNO/c1-3-15-10-4-5-11-9(7-10)6-8(2)12(13)14-11/h4-7H,3H2,1-2H3 |
InChI Key: | DLRPVFUNQNZOAX-UHFFFAOYSA-N |
Boiling Point: | 341.5 ℃ at 760 mmHg |
Density: | 1.194 g/cm3 |
LogP: | 3.59530 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2012133607-A1 | Pyrazole compound | 20110331 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.0607417 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.0607417 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 22.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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