Methyl 1-(4-Bromophenyl)-4-oxocyclohexanecarboxylate - CAS 1384265-30-8
Catalog: |
BB008757 |
Product Name: |
Methyl 1-(4-Bromophenyl)-4-oxocyclohexanecarboxylate |
CAS: |
1384265-30-8 |
Synonyms: |
1-(4-bromophenyl)-4-oxo-1-cyclohexanecarboxylic acid methyl ester; methyl 1-(4-bromophenyl)-4-oxocyclohexane-1-carboxylate |
IUPAC Name: | methyl 1-(4-bromophenyl)-4-oxocyclohexane-1-carboxylate |
Description: | Methyl 1-(4-Bromophenyl)-4-oxocyclohexanecarboxylate (CAS# 1384265-30-8) is a useful research chemical. |
Molecular Weight: | 311.17 |
Molecular Formula: | C14H15BrO3 |
Canonical SMILES: | COC(=O)C1(CCC(=O)CC1)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C14H15BrO3/c1-18-13(17)14(8-6-12(16)7-9-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3 |
InChI Key: | KWRSQQQEMTWZTI-UHFFFAOYSA-N |
LogP: | 3.00300 |
Publication Number | Title | Priority Date |
AU-2013254307-B2 | Cyclic bridgehead ether DGAT1 inhibitors | 20120427 |
EP-2852590-A1 | Cyclic bridgehead ether dgat1 inhibitors | 20120427 |
EP-2852590-B1 | Cyclic bridgehead ether dgat1 inhibitors | 20120427 |
JP-6042529-B2 | Cyclic bridgehead ether DGAT1 inhibitor | 20120427 |
KR-20150013194-A | Cyclic bridgehead ether dgat1 inhibitors | 20120427 |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.02046 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.02046 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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