6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester - CAS 948289-14-3
Catalog: |
BB041517 |
Product Name: |
6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester |
CAS: |
948289-14-3 |
Synonyms: |
ethyl 6-bromo-2-methylquinoline-3-carboxylate |
IUPAC Name: | ethyl 6-bromo-2-methylquinoline-3-carboxylate |
Description: | 6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester (CAS# 948289-14-3) is a useful research chemical. |
Molecular Weight: | 294.14 |
Molecular Formula: | C13H12BrNO2 |
Canonical SMILES: | CCOC(=O)C1=C(N=C2C=CC(=CC2=C1)Br)C |
InChI: | InChI=1S/C13H12BrNO2/c1-3-17-13(16)11-7-9-6-10(14)4-5-12(9)15-8(11)2/h4-7H,3H2,1-2H3 |
InChI Key: | WOWPFIGSWCNAHK-UHFFFAOYSA-N |
Boiling Point: | 358.5 °C at 760 mmHg |
Density: | 1.444 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 3.48240 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P354+P338, and P317 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-2885285-B1 | Pyrazole drivatives which inhibit leukotriene production | 20120717 |
US-2014031339-A1 | Inhibitors of leukotriene production | 20120717 |
US-9403830-B2 | Inhibitors of leukotriene production | 20120717 |
WO-2014014874-A1 | Pyrazole derivatives which inhibit leukotriene production | 20120717 |
EP-2079307-A2 | Farnesoid x receptor agonists | 20061024 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.00514 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.00514 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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