Methyl 1-(2-Bromo-5-chlorophenyl)-4-oxocyclohexanecarboxylate - CAS 1385694-72-3
Catalog: |
BB008807 |
Product Name: |
Methyl 1-(2-Bromo-5-chlorophenyl)-4-oxocyclohexanecarboxylate |
CAS: |
1385694-72-3 |
Synonyms: |
1-(2-bromo-5-chlorophenyl)-4-oxo-1-cyclohexanecarboxylic acid methyl ester; methyl 1-(2-bromo-5-chlorophenyl)-4-oxocyclohexane-1-carboxylate |
IUPAC Name: | methyl 1-(2-bromo-5-chlorophenyl)-4-oxocyclohexane-1-carboxylate |
Description: | Methyl 1-(2-Bromo-5-chlorophenyl)-4-oxocyclohexanecarboxylate (CAS# 1385694-72-3 ) is a useful research chemical. |
Molecular Weight: | 345.62 |
Molecular Formula: | C14H14BrClO3 |
Canonical SMILES: | COC(=O)C1(CCC(=O)CC1)C2=C(C=CC(=C2)Cl)Br |
InChI: | InChI=1S/C14H14BrClO3/c1-19-13(18)14(6-4-10(17)5-7-14)11-8-9(16)2-3-12(11)15/h2-3,8H,4-7H2,1H3 |
InChI Key: | FPNIXRNMPVEHLI-UHFFFAOYSA-N |
LogP: | 3.65640 |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.98148 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.98148 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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