Methyl 3-Chlorocyclobutanecarboxylate - CAS 15963-46-9
Catalog: |
BB011554 |
Product Name: |
Methyl 3-Chlorocyclobutanecarboxylate |
CAS: |
15963-46-9 |
Synonyms: |
3-chloro-1-cyclobutanecarboxylic acid methyl ester; methyl 3-chlorocyclobutane-1-carboxylate |
IUPAC Name: | methyl 3-chlorocyclobutane-1-carboxylate |
Description: | Methyl 3-Chlorocyclobutanecarboxylate (CAS# 15963-46-9) is a useful research chemical. |
Molecular Weight: | 148.59 |
Molecular Formula: | C6H9ClO2 |
Canonical SMILES: | COC(=O)C1CC(C1)Cl |
InChI: | InChI=1S/C6H9ClO2/c1-9-6(8)4-2-5(7)3-4/h4-5H,2-3H2,1H3 |
InChI Key: | PYLWYAGIWDJBMC-UHFFFAOYSA-N |
Boiling Point: | 185.358 °C at 760 mmHg |
Density: | 1.184 g/cm3 |
Appearance: | Colorless to yellow liquid |
LogP: | 1.17680 |
Publication Number | Title | Priority Date |
WO-2020148354-A1 | Substituted chromen-4-one for the treatment and prophylaxis of hepatitis b virus infection | 20190117 |
CN-113301959-A | Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection | 20190117 |
WO-2020120642-A1 | Chroman-4-one derivatives for the treatment and prophylaxis of hepatitis b virus infection | 20181214 |
CN-112996566-A | Chroman-4-one derivatives for the treatment and prevention of hepatitis B virus infection | 20181214 |
EP-3894004-A1 | Chroman-4-one derivatives for the treatment and prophylaxis of hepatitis b virus infection | 20181214 |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.0291072 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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