1-(4-Bromophenyl)-4-oxocyclohexanecarboxylic Acid - CAS 887978-75-8
Catalog: |
BB039244 |
Product Name: |
1-(4-Bromophenyl)-4-oxocyclohexanecarboxylic Acid |
CAS: |
887978-75-8 |
Synonyms: |
1-(4-bromophenyl)-4-oxo-1-cyclohexanecarboxylic acid; 1-(4-bromophenyl)-4-oxocyclohexane-1-carboxylic acid |
IUPAC Name: | 1-(4-bromophenyl)-4-oxocyclohexane-1-carboxylic acid |
Description: | 1-(4-Bromophenyl)-4-oxocyclohexanecarboxylic Acid (CAS# 887978-75-8) is a useful research chemical. |
Molecular Weight: | 297.14 |
Molecular Formula: | C13H13BrO3 |
Canonical SMILES: | C1CC(CCC1=O)(C2=CC=C(C=C2)Br)C(=O)O |
InChI: | InChI=1S/C13H13BrO3/c14-10-3-1-9(2-4-10)13(12(16)17)7-5-11(15)6-8-13/h1-4H,5-8H2,(H,16,17) |
InChI Key: | HLQYZWCMJDKGRW-UHFFFAOYSA-N |
LogP: | 2.91460 |
Publication Number | Title | Priority Date |
AU-2013254307-A1 | Cyclic bridgehead ether DGAT1 inhibitors | 20120427 |
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-2015514798-A | Cyclic bridgehead ether DGAT1 inhibitor | 20120427 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.00481 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.00481 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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