Methyl 6-Bromo-4-chloroquinoline-2-carboxylate - CAS 887587-50-0
Catalog: |
BB039191 |
Product Name: |
Methyl 6-Bromo-4-chloroquinoline-2-carboxylate |
CAS: |
887587-50-0 |
Synonyms: |
6-bromo-4-chloro-2-quinolinecarboxylic acid methyl ester; methyl 6-bromo-4-chloroquinoline-2-carboxylate |
IUPAC Name: | methyl 6-bromo-4-chloroquinoline-2-carboxylate |
Description: | Methyl 6-Bromo-4-chloroquinoline-2-carboxylate (CAS# 887587-50-0) is a useful research chemical compound. |
Molecular Weight: | 300.54 |
Molecular Formula: | C11H7BrClNO2 |
Canonical SMILES: | COC(=O)C1=NC2=C(C=C(C=C2)Br)C(=C1)Cl |
InChI: | InChI=1S/C11H7BrClNO2/c1-16-11(15)10-5-8(13)7-4-6(12)2-3-9(7)14-10/h2-5H,1H3 |
InChI Key: | RHNVVFWLYMUZOZ-UHFFFAOYSA-N |
MDL: | MFCD07783793 |
LogP: | 3.43730 |
Publication Number | Title | Priority Date |
CN-111278817-A | Polycyclic compounds as farnesoid X receptor modulators | 20171101 |
WO-2019089664-A1 | Multicyclic compounds as farnesoid x receptor modulators | 20171101 |
EP-3704107-A1 | Multicyclic compounds as farnesoid x receptor modulators | 20171101 |
KR-20200081435-A | Multicyclic compounds as farnesoid X receptor modulators | 20171101 |
JP-2021501218-A | Polycyclic compounds as farnesoid X receptor modulators | 20171101 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.93487 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.93487 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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