Methyl 1-(3-Fluorophenyl)-4-oxocyclohexanecarboxylate - CAS 1384264-42-9
Catalog: |
BB008754 |
Product Name: |
Methyl 1-(3-Fluorophenyl)-4-oxocyclohexanecarboxylate |
CAS: |
1384264-42-9 |
Synonyms: |
1-(3-fluorophenyl)-4-oxo-1-cyclohexanecarboxylic acid methyl ester; methyl 1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylate |
IUPAC Name: | methyl 1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylate |
Description: | Methyl 1-(3-Fluorophenyl)-4-oxocyclohexanecarboxylate (CAS# 1384264-42-9 ) is a useful research chemical. |
Molecular Weight: | 250.27 |
Molecular Formula: | C14H15FO3 |
Canonical SMILES: | COC(=O)C1(CCC(=O)CC1)C2=CC(=CC=C2)F |
InChI: | InChI=1S/C14H15FO3/c1-18-13(17)14(7-5-12(16)6-8-14)10-3-2-4-11(15)9-10/h2-4,9H,5-8H2,1H3 |
InChI Key: | PQVBXCHKKVQADR-UHFFFAOYSA-N |
LogP: | 2.37960 |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.1005225 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.1005225 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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