Ethyl 3-Chloroquinoxaline-2-carboxylate - CAS 49679-45-0
Catalog: |
BB026788 |
Product Name: |
Ethyl 3-Chloroquinoxaline-2-carboxylate |
CAS: |
49679-45-0 |
Synonyms: |
3-chloro-2-quinoxalinecarboxylic acid ethyl ester; ethyl 3-chloroquinoxaline-2-carboxylate |
IUPAC Name: | ethyl 3-chloroquinoxaline-2-carboxylate |
Description: | Ethyl 3-Chloroquinoxaline-2-carboxylate (CAS# 49679-45-0) is a useful research chemical. |
Molecular Weight: | 236.65 |
Molecular Formula: | C11H9ClN2O2 |
Canonical SMILES: | CCOC(=O)C1=NC2=CC=CC=C2N=C1Cl |
InChI: | InChI=1S/C11H9ClN2O2/c1-2-16-11(15)9-10(12)14-8-6-4-3-5-7(8)13-9/h3-6H,2H2,1H3 |
InChI Key: | YGTZHKWLTOJGOI-UHFFFAOYSA-N |
Boiling Point: | 330.7 °C at 760 mmHg |
Density: | 1.341 g/cm3 |
MDL: | MFCD09953512 |
LogP: | 2.45990 |
Publication Number | Title | Priority Date |
AU-2018339068-A1 | Combination pharmaceutical agents as RSV inhibitors | 20170929 |
CA-3077309-A1 | Combination pharmaceutical agents as rsv inhibitors | 20170929 |
TW-201919640-A | Combination agent as an RSV inhibitor | 20170929 |
US-2019192535-A1 | Combination pharmaceutical agents as rsv inhibitors | 20170929 |
WO-2019067864-A1 | PHARMACEUTICAL AGENTS IN COMBINATION AS INHIBITORS OF RSV | 20170929 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.0352552 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.0352552 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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